N-(1-cyanocyclopentyl)-N-methylethanesulfonamide

C9H16N2O2S — CID 82127082

IUPACN-(1-cyanocyclopentyl)-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)C1(C#N)CCCC1
InChIInChI=1S/C9H16N2O2S/c1-3-14(12,13)11(2)9(8-10)6-4-5-7-9/h3-7H2,1-2H3
InChIKeyGUPVIMMQUSTRLQ-UHFFFAOYSA-N
MW216.31 g/mol
LogP1.10
Rot. Bonds3

About N-(1-cyanocyclopentyl)-N-methylethanesulfonamide

N-(1-cyanocyclopentyl)-N-methylethanesulfonamide (PubChem CID 82127082) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-N-methylethanesulfonamide
PubChem CID82127082
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC NameN-(1-cyanocyclopentyl)-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)C1(C#N)CCCC1
InChIInChI=1S/C9H16N2O2S/c1-3-14(12,13)11(2)9(8-10)6-4-5-7-9/h3-7H2,1-2H3
InChIKeyGUPVIMMQUSTRLQ-UHFFFAOYSA-N
XLogP1.10
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(1-cyanocyclopentyl)-N-methylethanesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(1-cyanocyclopentyl)-N-methylmethanesulfonamide
CID 82126066
1-(4-Propylsulfonylpiperazin-1-yl)cyclopentane-1-carbonitrile
CID 58561845
N-(1-cyanocyclopentyl)propane-2-sulfonamide
CID 61123668
N-(1-cyanocyclopentyl)butane-1-sulfonamide
CID 55138336
1-(1,1-Dioxo-1,2-thiazolidin-2-yl)cyclopentane-1-carbonitrile
CID 61122152
N-(1-cyanocyclopentyl)propane-1-sulfonamide
CID 61124468
1-cyano-N-(cyclopentylmethyl)-N-methylmethanesulfonamide
CID 63657950
1-(Dimethylamino)-2-methylsulfonylcyclopentane-1-carbonitrile
CID 65050269
2-(2,2-Dimethylpyrrolidin-1-yl)sulfonylbutanenitrile
CID 65565848
1-cyano-N-(cyclopentylmethyl)-N-methylpropane-1-sulfonamide
CID 65566279
1-cyano-N-(cyclopentylmethyl)-N-methylethanesulfonamide
CID 65566280
1-cyano-N-(1-methylcyclopentyl)propane-1-sulfonamide
CID 65567383

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-N-methylethanesulfonamide?
The IUPAC name of N-(1-cyanocyclopentyl)-N-methylethanesulfonamide (CID 82127082) is N-(1-cyanocyclopentyl)-N-methylethanesulfonamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-N-methylethanesulfonamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-N-methylethanesulfonamide is CCS(=O)(=O)N(C)C1(C#N)CCCC1.
What is the InChIKey of N-(1-cyanocyclopentyl)-N-methylethanesulfonamide?
The InChIKey is GUPVIMMQUSTRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-3-14(12,13)11(2)9(8-10)6-4-5-7-9/h3-7H2,1-2H3.
What are the key properties of N-(1-cyanocyclopentyl)-N-methylethanesulfonamide?
N-(1-cyanocyclopentyl)-N-methylethanesulfonamide has a molecular weight of 216.31 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-N-methylethanesulfonamide is sourced from PubChem (CID 82127082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).