N-[3-(cyanomethyl)cyclopentyl]methanesulfonamide

C8H14N2O2S — CID 131186425

IUPACN-[3-(cyanomethyl)cyclopentyl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCC(CC#N)C1
InChIInChI=1S/C8H14N2O2S/c1-13(11,12)10-8-3-2-7(6-8)4-5-9/h7-8,10H,2-4,6H2,1H3
InChIKeyJZAJCLPGWBASRM-UHFFFAOYSA-N
MW202.28 g/mol
LogP0.62
Rot. Bonds3

About N-[3-(cyanomethyl)cyclopentyl]methanesulfonamide

N-[3-(cyanomethyl)cyclopentyl]methanesulfonamide (PubChem CID 131186425) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is N-[3-(cyanomethyl)cyclopentyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(cyanomethyl)cyclopentyl]methanesulfonamide
PubChem CID131186425
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC NameN-[3-(cyanomethyl)cyclopentyl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCC(CC#N)C1
InChIInChI=1S/C8H14N2O2S/c1-13(11,12)10-8-3-2-7(6-8)4-5-9/h7-8,10H,2-4,6H2,1H3
InChIKeyJZAJCLPGWBASRM-UHFFFAOYSA-N
XLogP0.62
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-(cyanomethyl)cyclopentyl]methanesulfonamide 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 N-[3-(cyanomethyl)cyclopentyl]methanesulfonamide?
The IUPAC name of N-[3-(cyanomethyl)cyclopentyl]methanesulfonamide (CID 131186425) is N-[3-(cyanomethyl)cyclopentyl]methanesulfonamide.
What is the SMILES notation for N-[3-(cyanomethyl)cyclopentyl]methanesulfonamide?
The canonical SMILES for N-[3-(cyanomethyl)cyclopentyl]methanesulfonamide is CS(=O)(=O)NC1CCC(CC#N)C1.
What is the InChIKey of N-[3-(cyanomethyl)cyclopentyl]methanesulfonamide?
The InChIKey is JZAJCLPGWBASRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-13(11,12)10-8-3-2-7(6-8)4-5-9/h7-8,10H,2-4,6H2,1H3.
What are the key properties of N-[3-(cyanomethyl)cyclopentyl]methanesulfonamide?
N-[3-(cyanomethyl)cyclopentyl]methanesulfonamide has a molecular weight of 202.28 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyanomethyl)cyclopentyl]methanesulfonamide is sourced from PubChem (CID 131186425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).