3-amino-1-(2-methylsulfonylethyl)pyridin-2-one

C8H12N2O3S — CID 62101794

IUPAC3-amino-1-(2-methylsulfonylethyl)pyridin-2-one
SMILESCS(=O)(=O)CCn1cccc(N)c1=O
InChIInChI=1S/C8H12N2O3S/c1-14(12,13)6-5-10-4-2-3-7(9)8(10)11/h2-4H,5-6,9H2,1H3
InChIKeyMHRSQJFTVWJXDX-UHFFFAOYSA-N
MW216.26 g/mol
LogP-0.52
Rot. Bonds3

About 3-amino-1-(2-methylsulfonylethyl)pyridin-2-one

3-amino-1-(2-methylsulfonylethyl)pyridin-2-one (PubChem CID 62101794) has the molecular formula C8H12N2O3S and a molecular weight of 216.26 g/mol. Its IUPAC name is 3-amino-1-(2-methylsulfonylethyl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-(2-methylsulfonylethyl)pyridin-2-one
PubChem CID62101794
Molecular FormulaC8H12N2O3S
Molecular Weight216.26 g/mol
Exact Mass216.06
IUPAC Name3-amino-1-(2-methylsulfonylethyl)pyridin-2-one
SMILESCS(=O)(=O)CCn1cccc(N)c1=O
InChIInChI=1S/C8H12N2O3S/c1-14(12,13)6-5-10-4-2-3-7(9)8(10)11/h2-4H,5-6,9H2,1H3
InChIKeyMHRSQJFTVWJXDX-UHFFFAOYSA-N
XLogP-0.52
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-amino-1-(2-methylsulfonylethyl)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 3-amino-1-(2-methylsulfonylethyl)pyridin-2-one?
The IUPAC name of 3-amino-1-(2-methylsulfonylethyl)pyridin-2-one (CID 62101794) is 3-amino-1-(2-methylsulfonylethyl)pyridin-2-one.
What is the SMILES notation for 3-amino-1-(2-methylsulfonylethyl)pyridin-2-one?
The canonical SMILES for 3-amino-1-(2-methylsulfonylethyl)pyridin-2-one is CS(=O)(=O)CCn1cccc(N)c1=O.
What is the InChIKey of 3-amino-1-(2-methylsulfonylethyl)pyridin-2-one?
The InChIKey is MHRSQJFTVWJXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3S/c1-14(12,13)6-5-10-4-2-3-7(9)8(10)11/h2-4H,5-6,9H2,1H3.
What are the key properties of 3-amino-1-(2-methylsulfonylethyl)pyridin-2-one?
3-amino-1-(2-methylsulfonylethyl)pyridin-2-one has a molecular weight of 216.26 g/mol, XLogP of -0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-methylsulfonylethyl)pyridin-2-one is sourced from PubChem (CID 62101794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).