2-(4-methylsulfonylanilino)cyclopentane-1-carbonitrile

C13H16N2O2S — CID 62742212

IUPAC2-(4-methylsulfonylanilino)cyclopentane-1-carbonitrile
SMILESCS(=O)(=O)c1ccc(NC2CCCC2C#N)cc1
InChIInChI=1S/C13H16N2O2S/c1-18(16,17)12-7-5-11(6-8-12)15-13-4-2-3-10(13)9-14/h5-8,10,13,15H,2-4H2,1H3
InChIKeyRQGAIKOLKZWPPY-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.19
Rot. Bonds3

About 2-(4-methylsulfonylanilino)cyclopentane-1-carbonitrile

2-(4-methylsulfonylanilino)cyclopentane-1-carbonitrile (PubChem CID 62742212) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-(4-methylsulfonylanilino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-(4-methylsulfonylanilino)cyclopentane-1-carbonitrile
PubChem CID62742212
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name2-(4-methylsulfonylanilino)cyclopentane-1-carbonitrile
SMILESCS(=O)(=O)c1ccc(NC2CCCC2C#N)cc1
InChIInChI=1S/C13H16N2O2S/c1-18(16,17)12-7-5-11(6-8-12)15-13-4-2-3-10(13)9-14/h5-8,10,13,15H,2-4H2,1H3
InChIKeyRQGAIKOLKZWPPY-UHFFFAOYSA-N
XLogP2.19
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylanilino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-(4-methylsulfonylanilino)cyclopentane-1-carbonitrile (CID 62742212) is 2-(4-methylsulfonylanilino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-(4-methylsulfonylanilino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-(4-methylsulfonylanilino)cyclopentane-1-carbonitrile is CS(=O)(=O)c1ccc(NC2CCCC2C#N)cc1.
What is the InChIKey of 2-(4-methylsulfonylanilino)cyclopentane-1-carbonitrile?
The InChIKey is RQGAIKOLKZWPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-18(16,17)12-7-5-11(6-8-12)15-13-4-2-3-10(13)9-14/h5-8,10,13,15H,2-4H2,1H3.
What are the key properties of 2-(4-methylsulfonylanilino)cyclopentane-1-carbonitrile?
2-(4-methylsulfonylanilino)cyclopentane-1-carbonitrile has a molecular weight of 264.35 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylanilino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 62742212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).