2-[(1-methylsulfonylpiperidin-4-yl)amino]cyclopentane-1-carbonitrile

C12H21N3O2S — CID 55114754

IUPAC2-[(1-methylsulfonylpiperidin-4-yl)amino]cyclopentane-1-carbonitrile
SMILESCS(=O)(=O)N1CCC(NC2CCCC2C#N)CC1
InChIInChI=1S/C12H21N3O2S/c1-18(16,17)15-7-5-11(6-8-15)14-12-4-2-3-10(12)9-13/h10-12,14H,2-8H2,1H3
InChIKeyBYSSLCOBVROFMD-UHFFFAOYSA-N
MW271.39 g/mol
LogP0.69
Rot. Bonds3

About 2-[(1-methylsulfonylpiperidin-4-yl)amino]cyclopentane-1-carbonitrile

2-[(1-methylsulfonylpiperidin-4-yl)amino]cyclopentane-1-carbonitrile (PubChem CID 55114754) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 2-[(1-methylsulfonylpiperidin-4-yl)amino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[(1-methylsulfonylpiperidin-4-yl)amino]cyclopentane-1-carbonitrile
PubChem CID55114754
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name2-[(1-methylsulfonylpiperidin-4-yl)amino]cyclopentane-1-carbonitrile
SMILESCS(=O)(=O)N1CCC(NC2CCCC2C#N)CC1
InChIInChI=1S/C12H21N3O2S/c1-18(16,17)15-7-5-11(6-8-15)14-12-4-2-3-10(12)9-13/h10-12,14H,2-8H2,1H3
InChIKeyBYSSLCOBVROFMD-UHFFFAOYSA-N
XLogP0.69
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(1-methylsulfonylpiperidin-4-yl)amino]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-[(1-methylsulfonylpiperidin-4-yl)amino]cyclopentane-1-carbonitrile?
The IUPAC name of 2-[(1-methylsulfonylpiperidin-4-yl)amino]cyclopentane-1-carbonitrile (CID 55114754) is 2-[(1-methylsulfonylpiperidin-4-yl)amino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[(1-methylsulfonylpiperidin-4-yl)amino]cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[(1-methylsulfonylpiperidin-4-yl)amino]cyclopentane-1-carbonitrile is CS(=O)(=O)N1CCC(NC2CCCC2C#N)CC1.
What is the InChIKey of 2-[(1-methylsulfonylpiperidin-4-yl)amino]cyclopentane-1-carbonitrile?
The InChIKey is BYSSLCOBVROFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-18(16,17)15-7-5-11(6-8-15)14-12-4-2-3-10(12)9-13/h10-12,14H,2-8H2,1H3.
What are the key properties of 2-[(1-methylsulfonylpiperidin-4-yl)amino]cyclopentane-1-carbonitrile?
2-[(1-methylsulfonylpiperidin-4-yl)amino]cyclopentane-1-carbonitrile has a molecular weight of 271.39 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylsulfonylpiperidin-4-yl)amino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 55114754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).