5-(4-methylsulfonylanilino)piperidin-2-one

C12H16N2O3S — CID 63662482

IUPAC5-(4-methylsulfonylanilino)piperidin-2-one
SMILESCS(=O)(=O)c1ccc(NC2CCC(=O)NC2)cc1
InChIInChI=1S/C12H16N2O3S/c1-18(16,17)11-5-2-9(3-6-11)14-10-4-7-12(15)13-8-10/h2-3,5-6,10,14H,4,7-8H2,1H3,(H,13,15)
InChIKeyGBHKXLCKWYZHIQ-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.78
Rot. Bonds3

About 5-(4-methylsulfonylanilino)piperidin-2-one

5-(4-methylsulfonylanilino)piperidin-2-one (PubChem CID 63662482) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 5-(4-methylsulfonylanilino)piperidin-2-one.

Molecular Properties

Compound Name5-(4-methylsulfonylanilino)piperidin-2-one
PubChem CID63662482
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name5-(4-methylsulfonylanilino)piperidin-2-one
SMILESCS(=O)(=O)c1ccc(NC2CCC(=O)NC2)cc1
InChIInChI=1S/C12H16N2O3S/c1-18(16,17)11-5-2-9(3-6-11)14-10-4-7-12(15)13-8-10/h2-3,5-6,10,14H,4,7-8H2,1H3,(H,13,15)
InChIKeyGBHKXLCKWYZHIQ-UHFFFAOYSA-N
XLogP0.78
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(4-methylsulfonylanilino)piperidin-2-one 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 5-(4-methylsulfonylanilino)piperidin-2-one?
The IUPAC name of 5-(4-methylsulfonylanilino)piperidin-2-one (CID 63662482) is 5-(4-methylsulfonylanilino)piperidin-2-one.
What is the SMILES notation for 5-(4-methylsulfonylanilino)piperidin-2-one?
The canonical SMILES for 5-(4-methylsulfonylanilino)piperidin-2-one is CS(=O)(=O)c1ccc(NC2CCC(=O)NC2)cc1.
What is the InChIKey of 5-(4-methylsulfonylanilino)piperidin-2-one?
The InChIKey is GBHKXLCKWYZHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-18(16,17)11-5-2-9(3-6-11)14-10-4-7-12(15)13-8-10/h2-3,5-6,10,14H,4,7-8H2,1H3,(H,13,15).
What are the key properties of 5-(4-methylsulfonylanilino)piperidin-2-one?
5-(4-methylsulfonylanilino)piperidin-2-one has a molecular weight of 268.34 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylsulfonylanilino)piperidin-2-one is sourced from PubChem (CID 63662482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).