(2S)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-1-(1-tosylpiperidine-4-carbonyl)pyrrolidine-2-carboxamide
TL;DR: (2S)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-1-(1-tosylpiperidine-4-carbonyl)pyrrolidine-2-carboxamide (CAS 958950-34-0) is a chemical compound with molecular formula C22H31N3O6S2 and molecular weight 497.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-N-(1,1-dioxothiolan-3-yl)-1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide
Also Known As: (2S)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-1-(1-tosylpiperidine-4-carbonyl)pyrrolidine-2-carboxamide, (2S)-N-(1,1-dioxothiolan-3-yl)-1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide, N-(1,1-dioxidotetrahydrothiophen-3-yl)-1-({1-[(4-methylphenyl)sulfonyl]piperidin-4-yl}carbonyl)-L-prolinamide
| Molecular Formula | C22H31N3O6S2 |
|---|---|
| Molecular Weight | 497.17 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 497.16544 |
| Heavy Atoms | 33 |
| Complexity | 940.0 |
Chemical Identifiers
| CAS Number | 958950-34-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCC[C@H]3C(=O)NC4CCS(=O)(=O)C4 |
| InChIKey | ZNGSWWBLRUGTDZ-IJHRGXPZSA-N |
Product Overview
(2S)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-1-(1-tosylpiperidine-4-carbonyl)pyrrolidine-2-carboxamide (CAS 958950-34-0), with molecular formula C22H31N3O6S2 and molecular weight 497.17 g/mol. IUPAC: (2S)-N-(1,1-dioxothiolan-3-yl)-1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide.
Chemical Property Profile of (2S)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-1-(1-tosylpiperidine-4-carbonyl)pyrrolidine-2-carboxamide
Property Insights of (2S)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-1-(1-tosylpiperidine-4-carbonyl)pyrrolidine-2-carboxamide
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-1-(1-tosylpiperidine-4-carbonyl)pyrrolidine-2-carboxamide. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-1-(1-tosylpiperidine-4-carbonyl)pyrrolidine-2-carboxamide. Following Lipinski's Rule of Five, (2S)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-1-(1-tosylpiperidine-4-carbonyl)pyrrolidine-2-carboxamide has 1 hydrogen bond donor(s) and 7 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 (2S)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-1-(1-tosylpiperidine-4-carbonyl)pyrrolidine-2-carboxamide?
The CAS number of (2S)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-1-(1-tosylpiperidine-4-carbonyl)pyrrolidine-2-carboxamide is 958950-34-0.
What is the molecular formula of (2S)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-1-(1-tosylpiperidine-4-carbonyl)pyrrolidine-2-carboxamide?
The molecular formula of (2S)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-1-(1-tosylpiperidine-4-carbonyl)pyrrolidine-2-carboxamide is C22H31N3O6S2.
What is the molecular weight of (2S)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-1-(1-tosylpiperidine-4-carbonyl)pyrrolidine-2-carboxamide?
The molecular weight of (2S)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-1-(1-tosylpiperidine-4-carbonyl)pyrrolidine-2-carboxamide is 497.17 g/mol.
Where can I buy (2S)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-1-(1-tosylpiperidine-4-carbonyl)pyrrolidine-2-carboxamide?
You can request a quote for (2S)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-1-(1-tosylpiperidine-4-carbonyl)pyrrolidine-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-1-(1-tosylpiperidine-4-carbonyl)pyrrolidine-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for (2S)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-1-(1-tosylpiperidine-4-carbonyl)pyrrolidine-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.