2-methylsulfonyl-1-piperidin-1-ylcyclopentane-1-carbonitrile

C12H20N2O2S — CID 65050378

IUPAC2-methylsulfonyl-1-piperidin-1-ylcyclopentane-1-carbonitrile
SMILESCS(=O)(=O)C1CCCC1(C#N)N1CCCCC1
InChIInChI=1S/C12H20N2O2S/c1-17(15,16)11-6-5-7-12(11,10-13)14-8-3-2-4-9-14/h11H,2-9H2,1H3
InChIKeyYAFOKGPQJRVGDS-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.33
Rot. Bonds2

About 2-methylsulfonyl-1-piperidin-1-ylcyclopentane-1-carbonitrile

2-methylsulfonyl-1-piperidin-1-ylcyclopentane-1-carbonitrile (PubChem CID 65050378) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-methylsulfonyl-1-piperidin-1-ylcyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-methylsulfonyl-1-piperidin-1-ylcyclopentane-1-carbonitrile
PubChem CID65050378
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name2-methylsulfonyl-1-piperidin-1-ylcyclopentane-1-carbonitrile
SMILESCS(=O)(=O)C1CCCC1(C#N)N1CCCCC1
InChIInChI=1S/C12H20N2O2S/c1-17(15,16)11-6-5-7-12(11,10-13)14-8-3-2-4-9-14/h11H,2-9H2,1H3
InChIKeyYAFOKGPQJRVGDS-UHFFFAOYSA-N
XLogP1.33
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methylsulfonyl-1-piperidin-1-ylcyclopentane-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-methylsulfonyl-1-piperidin-1-ylcyclopentane-1-carbonitrile?
The IUPAC name of 2-methylsulfonyl-1-piperidin-1-ylcyclopentane-1-carbonitrile (CID 65050378) is 2-methylsulfonyl-1-piperidin-1-ylcyclopentane-1-carbonitrile.
What is the SMILES notation for 2-methylsulfonyl-1-piperidin-1-ylcyclopentane-1-carbonitrile?
The canonical SMILES for 2-methylsulfonyl-1-piperidin-1-ylcyclopentane-1-carbonitrile is CS(=O)(=O)C1CCCC1(C#N)N1CCCCC1.
What is the InChIKey of 2-methylsulfonyl-1-piperidin-1-ylcyclopentane-1-carbonitrile?
The InChIKey is YAFOKGPQJRVGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-17(15,16)11-6-5-7-12(11,10-13)14-8-3-2-4-9-14/h11H,2-9H2,1H3.
What are the key properties of 2-methylsulfonyl-1-piperidin-1-ylcyclopentane-1-carbonitrile?
2-methylsulfonyl-1-piperidin-1-ylcyclopentane-1-carbonitrile has a molecular weight of 256.37 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-1-piperidin-1-ylcyclopentane-1-carbonitrile is sourced from PubChem (CID 65050378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).