N-((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-yl)-2-((S)-2-oxo-3-phenylmethanesulfonylamino-piperidin-1-yl)-acetamide
TL;DR: N-((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-yl)-2-((S)-2-oxo-3-phenylmethanesulfonylamino-piperidin-1-yl)-acetamide (CAS 174960-52-2) is a chemical compound with molecular formula C20H30N6O5S and molecular weight 466.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3S)-3-(benzylsulfonylamino)-2-oxopiperidin-1-yl]-N-[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]acetamide
Also Known As: N-((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-yl)-2-((S)-2-oxo-3-phenylmethanesulfonylamino-piperidin-1-yl)-acetamide, N-(1-Carbamimidoyl-2-hydroxy-piperidin-3-yl)-2-(2-oxo-3-phenylmethanesulfonylamino-piperidin-1-yl)-acetamide, N-[(3S)-1-[[[(3S)-1-Amidino-2-hydroxypiperidin-3beta-yl]carbamoyl]methyl]-2-oxopiperidin-3beta-yl]phenylmethanesulfonamide, N-[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]-2-[(3S)-2-oxo-3-(phenylmethanesulfonamido)piperidin-1-yl]acetamide
| Molecular Formula | C20H30N6O5S |
|---|---|
| Molecular Weight | 466.20 g/mol |
| LogP | -1.11053 |
| Topological Polar Surface Area | 168.92 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 466.19983 |
| Heavy Atoms | 32 |
| Complexity | 941.05853 |
Chemical Identifiers
| CAS Number | 174960-52-2 |
|---|---|
| SMILES | C1C[C@@H](C(N(C1)C(=N)N)O)NC(=O)CN2CCC[C@@H](C2=O)NS(=O)(=O)CC3=CC=CC=C3 |
Product Overview
N-((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-yl)-2-((S)-2-oxo-3-phenylmethanesulfonylamino-piperidin-1-yl)-acetamide (CAS 174960-52-2), with molecular formula C20H30N6O5S and molecular weight 466.20 g/mol. IUPAC: 2-[(3S)-3-(benzylsulfonylamino)-2-oxopiperidin-1-yl]-N-[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]acetamide.
Chemical Property Profile of N-((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-yl)-2-((S)-2-oxo-3-phenylmethanesulfonylamino-piperidin-1-yl)-acetamide
Property Insights of N-((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-yl)-2-((S)-2-oxo-3-phenylmethanesulfonylamino-piperidin-1-yl)-acetamide
The XLogP value of -1.11053 indicates that N-((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-yl)-2-((S)-2-oxo-3-phenylmethanesulfonylamino-piperidin-1-yl)-acetamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 168.92 Ų indicates high polarity, suggesting N-((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-yl)-2-((S)-2-oxo-3-phenylmethanesulfonylamino-piperidin-1-yl)-acetamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-yl)-2-((S)-2-oxo-3-phenylmethanesulfonylamino-piperidin-1-yl)-acetamide has 5 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-yl)-2-((S)-2-oxo-3-phenylmethanesulfonylamino-piperidin-1-yl)-acetamide?
The CAS number of N-((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-yl)-2-((S)-2-oxo-3-phenylmethanesulfonylamino-piperidin-1-yl)-acetamide is 174960-52-2.
What is the molecular formula of N-((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-yl)-2-((S)-2-oxo-3-phenylmethanesulfonylamino-piperidin-1-yl)-acetamide?
The molecular formula of N-((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-yl)-2-((S)-2-oxo-3-phenylmethanesulfonylamino-piperidin-1-yl)-acetamide is C20H30N6O5S.
What is the molecular weight of N-((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-yl)-2-((S)-2-oxo-3-phenylmethanesulfonylamino-piperidin-1-yl)-acetamide?
The molecular weight of N-((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-yl)-2-((S)-2-oxo-3-phenylmethanesulfonylamino-piperidin-1-yl)-acetamide is 466.20 g/mol.
Where can I buy N-((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-yl)-2-((S)-2-oxo-3-phenylmethanesulfonylamino-piperidin-1-yl)-acetamide?
You can request a quote for N-((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-yl)-2-((S)-2-oxo-3-phenylmethanesulfonylamino-piperidin-1-yl)-acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-yl)-2-((S)-2-oxo-3-phenylmethanesulfonylamino-piperidin-1-yl)-acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-yl)-2-((S)-2-oxo-3-phenylmethanesulfonylamino-piperidin-1-yl)-acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.