(2S)-N-phenyl-2-pyridin-3-ylpiperidine-1-carbothioamide
TL;DR: (2S)-N-phenyl-2-pyridin-3-ylpiperidine-1-carbothioamide (CAS 89652-00-6) is a chemical compound with molecular formula C17H19N3S and molecular weight 297.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-N-phenyl-2-pyridin-3-ylpiperidine-1-carbothioamide
Also Known As: (2S)-N-phenyl-2-pyridin-3-ylpiperidine-1-carbothioamide, 1-Piperidinecarbothioamide, N-phenyl-2-(3-pyridinyl)-, (S)-
| Molecular Formula | C17H19N3S |
|---|---|
| Molecular Weight | 297.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 60.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 297.12997 |
| Heavy Atoms | 21 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 89652-00-6 |
|---|---|
| SMILES | C1CCN([C@@H](C1)C2=CN=CC=C2)C(=S)NC3=CC=CC=C3 |
| InChIKey | IYRYZPHOBLEAJX-INIZCTEOSA-N |
Product Overview
(2S)-N-phenyl-2-pyridin-3-ylpiperidine-1-carbothioamide (CAS 89652-00-6), with molecular formula C17H19N3S and molecular weight 297.13 g/mol. IUPAC: (2S)-N-phenyl-2-pyridin-3-ylpiperidine-1-carbothioamide.
Chemical Property Profile of (2S)-N-phenyl-2-pyridin-3-ylpiperidine-1-carbothioamide
Property Insights of (2S)-N-phenyl-2-pyridin-3-ylpiperidine-1-carbothioamide
The XLogP value of 3.0 indicates that (2S)-N-phenyl-2-pyridin-3-ylpiperidine-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-N-phenyl-2-pyridin-3-ylpiperidine-1-carbothioamide. Following Lipinski's Rule of Five, (2S)-N-phenyl-2-pyridin-3-ylpiperidine-1-carbothioamide has 1 hydrogen bond donor(s) and 2 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-phenyl-2-pyridin-3-ylpiperidine-1-carbothioamide?
The CAS number of (2S)-N-phenyl-2-pyridin-3-ylpiperidine-1-carbothioamide is 89652-00-6.
What is the molecular formula of (2S)-N-phenyl-2-pyridin-3-ylpiperidine-1-carbothioamide?
The molecular formula of (2S)-N-phenyl-2-pyridin-3-ylpiperidine-1-carbothioamide is C17H19N3S.
What is the molecular weight of (2S)-N-phenyl-2-pyridin-3-ylpiperidine-1-carbothioamide?
The molecular weight of (2S)-N-phenyl-2-pyridin-3-ylpiperidine-1-carbothioamide is 297.13 g/mol.
Where can I buy (2S)-N-phenyl-2-pyridin-3-ylpiperidine-1-carbothioamide?
You can request a quote for (2S)-N-phenyl-2-pyridin-3-ylpiperidine-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-N-phenyl-2-pyridin-3-ylpiperidine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for (2S)-N-phenyl-2-pyridin-3-ylpiperidine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.