4-methylsulfonyl-1H-pyridin-2-one

C6H7NO3S — CID 55296580

IUPAC4-methylsulfonyl-1H-pyridin-2-one
SMILESCS(=O)(=O)c1cc[nH]c(=O)c1
InChIInChI=1S/C6H7NO3S/c1-11(9,10)5-2-3-7-6(8)4-5/h2-4H,1H3,(H,7,8)
InChIKeyCTTYRBMJCDBHPE-UHFFFAOYSA-N
MW173.19 g/mol
LogP-0.22
Rot. Bonds1

About 4-methylsulfonyl-1H-pyridin-2-one

4-methylsulfonyl-1H-pyridin-2-one (PubChem CID 55296580) has the molecular formula C6H7NO3S and a molecular weight of 173.19 g/mol. Its IUPAC name is 4-methylsulfonyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-methylsulfonyl-1H-pyridin-2-one
PubChem CID55296580
Molecular FormulaC6H7NO3S
Molecular Weight173.19 g/mol
Exact Mass173.01
IUPAC Name4-methylsulfonyl-1H-pyridin-2-one
SMILESCS(=O)(=O)c1cc[nH]c(=O)c1
InChIInChI=1S/C6H7NO3S/c1-11(9,10)5-2-3-7-6(8)4-5/h2-4H,1H3,(H,7,8)
InChIKeyCTTYRBMJCDBHPE-UHFFFAOYSA-N
XLogP-0.22
TPSA67.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.19
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methylsulfonyl-1H-pyridin-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 4-methylsulfonyl-1H-pyridin-2-one?
The IUPAC name of 4-methylsulfonyl-1H-pyridin-2-one (CID 55296580) is 4-methylsulfonyl-1H-pyridin-2-one.
What is the SMILES notation for 4-methylsulfonyl-1H-pyridin-2-one?
The canonical SMILES for 4-methylsulfonyl-1H-pyridin-2-one is CS(=O)(=O)c1cc[nH]c(=O)c1.
What is the InChIKey of 4-methylsulfonyl-1H-pyridin-2-one?
The InChIKey is CTTYRBMJCDBHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3S/c1-11(9,10)5-2-3-7-6(8)4-5/h2-4H,1H3,(H,7,8).
What are the key properties of 4-methylsulfonyl-1H-pyridin-2-one?
4-methylsulfonyl-1H-pyridin-2-one has a molecular weight of 173.19 g/mol, XLogP of -0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-1H-pyridin-2-one is sourced from PubChem (CID 55296580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).