![3-{(Methylethyl)[(4-methylphenyl)sulfonyl]amino}propanenitrile structure](/static/products/212/21230-37-5.png)
3-{(Methylethyl)[(4-methylphenyl)sulfonyl]amino}propanenitrile
TL;DR: 3-{(Methylethyl)[(4-methylphenyl)sulfonyl]amino}propanenitrile (CAS 21230-37-5) is a chemical compound with molecular formula C13H18N2O2S and molecular weight 266.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-cyanoethyl)-4-methyl-N-propan-2-ylbenzenesulfonamide
Also Known As: BAS 00347686, N-(2-cyanoethyl)-4-methyl-N-propan-2-ylbenzenesulfonamide, N-(2-Cyano-ethyl)-N-isopropyl-4-methyl-benzenesulfonamide, 3-{(methylethyl)[(4-methylphenyl)sulfonyl]amino}propanenitrile, N-(2-cyanoethyl)-4-methyl-N-(propan-2-yl)benzenesulfonamide
| Molecular Formula | C13H18N2O2S |
|---|---|
| Molecular Weight | 266.11 g/mol |
| LogP | 2.3078 |
| Topological Polar Surface Area | 61.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 266.1089 |
| Heavy Atoms | 18 |
| Complexity | 527.1048 |
Chemical Identifiers
| CAS Number | 21230-37-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N(CCC#N)C(C)C |
Product Overview
3-{(Methylethyl)[(4-methylphenyl)sulfonyl]amino}propanenitrile (CAS 21230-37-5), with molecular formula C13H18N2O2S and molecular weight 266.11 g/mol. IUPAC: N-(2-cyanoethyl)-4-methyl-N-propan-2-ylbenzenesulfonamide.
Chemical Property Profile of 3-{(Methylethyl)[(4-methylphenyl)sulfonyl]amino}propanenitrile
Property Insights of 3-{(Methylethyl)[(4-methylphenyl)sulfonyl]amino}propanenitrile
The XLogP value of 2.3078 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{(Methylethyl)[(4-methylphenyl)sulfonyl]amino}propanenitrile. The TPSA of 61.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{(Methylethyl)[(4-methylphenyl)sulfonyl]amino}propanenitrile. Following Lipinski's Rule of Five, 3-{(Methylethyl)[(4-methylphenyl)sulfonyl]amino}propanenitrile has 0 hydrogen bond donor(s) and 3 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 3-{(Methylethyl)[(4-methylphenyl)sulfonyl]amino}propanenitrile?
The CAS number of 3-{(Methylethyl)[(4-methylphenyl)sulfonyl]amino}propanenitrile is 21230-37-5.
What is the molecular formula of 3-{(Methylethyl)[(4-methylphenyl)sulfonyl]amino}propanenitrile?
The molecular formula of 3-{(Methylethyl)[(4-methylphenyl)sulfonyl]amino}propanenitrile is C13H18N2O2S.
What is the molecular weight of 3-{(Methylethyl)[(4-methylphenyl)sulfonyl]amino}propanenitrile?
The molecular weight of 3-{(Methylethyl)[(4-methylphenyl)sulfonyl]amino}propanenitrile is 266.11 g/mol.
Where can I buy 3-{(Methylethyl)[(4-methylphenyl)sulfonyl]amino}propanenitrile?
You can request a quote for 3-{(Methylethyl)[(4-methylphenyl)sulfonyl]amino}propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{(Methylethyl)[(4-methylphenyl)sulfonyl]amino}propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-{(Methylethyl)[(4-methylphenyl)sulfonyl]amino}propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.