2-cyano-N-[2-[cyclopentyl(methyl)amino]ethyl]-N-methylbenzenesulfonamide

C16H23N3O2S — CID 131929212

IUPAC2-cyano-N-[2-[cyclopentyl(methyl)amino]ethyl]-N-methylbenzenesulfonamide
SMILESCN(CCN(C)S(=O)(=O)c1ccccc1C#N)C1CCCC1
InChIInChI=1S/C16H23N3O2S/c1-18(15-8-4-5-9-15)11-12-19(2)22(20,21)16-10-6-3-7-14(16)13-17/h3,6-7,10,15H,4-5,8-9,11-12H2,1-2H3
InChIKeyFRYGBOMGHFCQOY-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.05
Rot. Bonds6

About 2-cyano-N-[2-[cyclopentyl(methyl)amino]ethyl]-N-methylbenzenesulfonamide

2-cyano-N-[2-[cyclopentyl(methyl)amino]ethyl]-N-methylbenzenesulfonamide (PubChem CID 131929212) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 2-cyano-N-[2-[cyclopentyl(methyl)amino]ethyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-[2-[cyclopentyl(methyl)amino]ethyl]-N-methylbenzenesulfonamide
PubChem CID131929212
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name2-cyano-N-[2-[cyclopentyl(methyl)amino]ethyl]-N-methylbenzenesulfonamide
SMILESCN(CCN(C)S(=O)(=O)c1ccccc1C#N)C1CCCC1
InChIInChI=1S/C16H23N3O2S/c1-18(15-8-4-5-9-15)11-12-19(2)22(20,21)16-10-6-3-7-14(16)13-17/h3,6-7,10,15H,4-5,8-9,11-12H2,1-2H3
InChIKeyFRYGBOMGHFCQOY-UHFFFAOYSA-N
XLogP2.05
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-cyano-N-[2-[cyclopentyl(methyl)amino]ethyl]-N-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-[cyclopentyl(methyl)amino]ethyl]-N-methylbenzenesulfonamide?
The IUPAC name of 2-cyano-N-[2-[cyclopentyl(methyl)amino]ethyl]-N-methylbenzenesulfonamide (CID 131929212) is 2-cyano-N-[2-[cyclopentyl(methyl)amino]ethyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-cyano-N-[2-[cyclopentyl(methyl)amino]ethyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-cyano-N-[2-[cyclopentyl(methyl)amino]ethyl]-N-methylbenzenesulfonamide is CN(CCN(C)S(=O)(=O)c1ccccc1C#N)C1CCCC1.
What is the InChIKey of 2-cyano-N-[2-[cyclopentyl(methyl)amino]ethyl]-N-methylbenzenesulfonamide?
The InChIKey is FRYGBOMGHFCQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-18(15-8-4-5-9-15)11-12-19(2)22(20,21)16-10-6-3-7-14(16)13-17/h3,6-7,10,15H,4-5,8-9,11-12H2,1-2H3.
What are the key properties of 2-cyano-N-[2-[cyclopentyl(methyl)amino]ethyl]-N-methylbenzenesulfonamide?
2-cyano-N-[2-[cyclopentyl(methyl)amino]ethyl]-N-methylbenzenesulfonamide has a molecular weight of 321.45 g/mol, XLogP of 2.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-[cyclopentyl(methyl)amino]ethyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 131929212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).