3-(Dimethylamino)-2-(2-methylpropane-2-sulfonyl)prop-2-enenitrile
TL;DR: 3-(Dimethylamino)-2-(2-methylpropane-2-sulfonyl)prop-2-enenitrile (CAS 338751-71-6) is a chemical compound with molecular formula C9H16N2O2S and molecular weight 216.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butylsulfonyl-3-(dimethylamino)prop-2-enenitrile
Also Known As: 2-(tert-butylsulfonyl)-3-(dimethylamino)acrylonitrile, 3-(DIMETHYLAMINO)-2-(2-METHYLPROPANE-2-SULFONYL)PROP-2-ENENITRILE, 2-(Tert-butylsulfonyl)-3-(dimethylamino) acrylonitrile, 2-tert-butylsulfonyl-3-(dimethylamino)prop-2-enenitrile, 3-(Dimethylamino)-2-[(1,1-dimethylethyl)sulfonyl]-2-propenenitrile
| Molecular Formula | C9H16N2O2S |
|---|---|
| Molecular Weight | 216.09 g/mol |
| LogP | 1.12628 |
| Topological Polar Surface Area | 61.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.09325 |
| Heavy Atoms | 14 |
| Complexity | 366.5966 |
Chemical Identifiers
| CAS Number | 338751-71-6 |
|---|---|
| SMILES | CC(C)(C)S(=O)(=O)C(=CN(C)C)C#N |
Product Overview
3-(Dimethylamino)-2-(2-methylpropane-2-sulfonyl)prop-2-enenitrile (CAS 338751-71-6), with molecular formula C9H16N2O2S and molecular weight 216.09 g/mol. IUPAC: 2-tert-butylsulfonyl-3-(dimethylamino)prop-2-enenitrile.
Chemical Property Profile of 3-(Dimethylamino)-2-(2-methylpropane-2-sulfonyl)prop-2-enenitrile
Property Insights of 3-(Dimethylamino)-2-(2-methylpropane-2-sulfonyl)prop-2-enenitrile
The XLogP value of 1.12628 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Dimethylamino)-2-(2-methylpropane-2-sulfonyl)prop-2-enenitrile. The TPSA of 61.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Dimethylamino)-2-(2-methylpropane-2-sulfonyl)prop-2-enenitrile. Following Lipinski's Rule of Five, 3-(Dimethylamino)-2-(2-methylpropane-2-sulfonyl)prop-2-enenitrile has 0 hydrogen bond donor(s) and 4 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-(Dimethylamino)-2-(2-methylpropane-2-sulfonyl)prop-2-enenitrile?
The CAS number of 3-(Dimethylamino)-2-(2-methylpropane-2-sulfonyl)prop-2-enenitrile is 338751-71-6.
What is the molecular formula of 3-(Dimethylamino)-2-(2-methylpropane-2-sulfonyl)prop-2-enenitrile?
The molecular formula of 3-(Dimethylamino)-2-(2-methylpropane-2-sulfonyl)prop-2-enenitrile is C9H16N2O2S.
What is the molecular weight of 3-(Dimethylamino)-2-(2-methylpropane-2-sulfonyl)prop-2-enenitrile?
The molecular weight of 3-(Dimethylamino)-2-(2-methylpropane-2-sulfonyl)prop-2-enenitrile is 216.09 g/mol.
Where can I buy 3-(Dimethylamino)-2-(2-methylpropane-2-sulfonyl)prop-2-enenitrile?
You can request a quote for 3-(Dimethylamino)-2-(2-methylpropane-2-sulfonyl)prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Dimethylamino)-2-(2-methylpropane-2-sulfonyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(Dimethylamino)-2-(2-methylpropane-2-sulfonyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.