2-(2-methylsulfonylethylamino)cyclopentane-1-carbonitrile

C9H16N2O2S — CID 62741506

IUPAC2-(2-methylsulfonylethylamino)cyclopentane-1-carbonitrile
SMILESCS(=O)(=O)CCNC1CCCC1C#N
InChIInChI=1S/C9H16N2O2S/c1-14(12,13)6-5-11-9-4-2-3-8(9)7-10/h8-9,11H,2-6H2,1H3
InChIKeyCCSUIDZJBPYGAY-UHFFFAOYSA-N
MW216.31 g/mol
LogP0.31
Rot. Bonds4

About 2-(2-methylsulfonylethylamino)cyclopentane-1-carbonitrile

2-(2-methylsulfonylethylamino)cyclopentane-1-carbonitrile (PubChem CID 62741506) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 2-(2-methylsulfonylethylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-(2-methylsulfonylethylamino)cyclopentane-1-carbonitrile
PubChem CID62741506
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Name2-(2-methylsulfonylethylamino)cyclopentane-1-carbonitrile
SMILESCS(=O)(=O)CCNC1CCCC1C#N
InChIInChI=1S/C9H16N2O2S/c1-14(12,13)6-5-11-9-4-2-3-8(9)7-10/h8-9,11H,2-6H2,1H3
InChIKeyCCSUIDZJBPYGAY-UHFFFAOYSA-N
XLogP0.31
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-methylsulfonylethylamino)cyclopentane-1-carbonitrile 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-(2-methylsulfonylethylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-(2-methylsulfonylethylamino)cyclopentane-1-carbonitrile (CID 62741506) is 2-(2-methylsulfonylethylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-(2-methylsulfonylethylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-(2-methylsulfonylethylamino)cyclopentane-1-carbonitrile is CS(=O)(=O)CCNC1CCCC1C#N.
What is the InChIKey of 2-(2-methylsulfonylethylamino)cyclopentane-1-carbonitrile?
The InChIKey is CCSUIDZJBPYGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-14(12,13)6-5-11-9-4-2-3-8(9)7-10/h8-9,11H,2-6H2,1H3.
What are the key properties of 2-(2-methylsulfonylethylamino)cyclopentane-1-carbonitrile?
2-(2-methylsulfonylethylamino)cyclopentane-1-carbonitrile has a molecular weight of 216.31 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfonylethylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 62741506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).