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

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Related Compounds

2-cyano-N-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 110604975
2-cyano-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 60961531
2-cyano-N-cyclopropyl-N-methylbenzenesulfonamide
CID 43247485
2-cyano-N-methyl-N-[[(2R)-oxan-2-yl]methyl]benzenesulfonamide
CID 94195591
2-cyano-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide
CID 42942284
2-cyano-N-[2-(4-fluorophenoxy)ethyl]-N-methylbenzenesulfonamide
CID 26544727
N-[2-[cyclopentyl(methyl)amino]ethyl]-N-methyl-4-methylsulfonylbenzenesulfonamide
CID 131929134
2-[(2-cyanophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 9356240
2-cyano-N-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 43420467
N-butan-2-yl-2-cyano-N-methylbenzenesulfonamide
CID 43273076
2-[3-[cycloheptyl(methyl)amino]propoxy]benzonitrile
CID 43614065
2-cyano-N-(2-hydroxy-2-phenylethyl)-N-methylbenzenesulfonamide
CID 3431628

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).