3-amino-5-(3-ethylsulfonylphenyl)-1-methylpyridin-2-one

C14H16N2O3S — CID 118022262

IUPAC3-amino-5-(3-ethylsulfonylphenyl)-1-methylpyridin-2-one
SMILESCCS(=O)(=O)c1cccc(-c2cc(N)c(=O)n(C)c2)c1
InChIInChI=1S/C14H16N2O3S/c1-3-20(18,19)12-6-4-5-10(7-12)11-8-13(15)14(17)16(2)9-11/h4-9H,3,15H2,1-2H3
InChIKeyOETITKLZKXGWDG-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.43
Rot. Bonds3

About 3-amino-5-(3-ethylsulfonylphenyl)-1-methylpyridin-2-one

3-amino-5-(3-ethylsulfonylphenyl)-1-methylpyridin-2-one (PubChem CID 118022262) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 3-amino-5-(3-ethylsulfonylphenyl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-amino-5-(3-ethylsulfonylphenyl)-1-methylpyridin-2-one
PubChem CID118022262
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name3-amino-5-(3-ethylsulfonylphenyl)-1-methylpyridin-2-one
SMILESCCS(=O)(=O)c1cccc(-c2cc(N)c(=O)n(C)c2)c1
InChIInChI=1S/C14H16N2O3S/c1-3-20(18,19)12-6-4-5-10(7-12)11-8-13(15)14(17)16(2)9-11/h4-9H,3,15H2,1-2H3
InChIKeyOETITKLZKXGWDG-UHFFFAOYSA-N
XLogP1.43
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(3-ethylsulfonylphenyl)-1-methylpyridin-2-one?
The IUPAC name of 3-amino-5-(3-ethylsulfonylphenyl)-1-methylpyridin-2-one (CID 118022262) is 3-amino-5-(3-ethylsulfonylphenyl)-1-methylpyridin-2-one.
What is the SMILES notation for 3-amino-5-(3-ethylsulfonylphenyl)-1-methylpyridin-2-one?
The canonical SMILES for 3-amino-5-(3-ethylsulfonylphenyl)-1-methylpyridin-2-one is CCS(=O)(=O)c1cccc(-c2cc(N)c(=O)n(C)c2)c1.
What is the InChIKey of 3-amino-5-(3-ethylsulfonylphenyl)-1-methylpyridin-2-one?
The InChIKey is OETITKLZKXGWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-3-20(18,19)12-6-4-5-10(7-12)11-8-13(15)14(17)16(2)9-11/h4-9H,3,15H2,1-2H3.
What are the key properties of 3-amino-5-(3-ethylsulfonylphenyl)-1-methylpyridin-2-one?
3-amino-5-(3-ethylsulfonylphenyl)-1-methylpyridin-2-one has a molecular weight of 292.36 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(3-ethylsulfonylphenyl)-1-methylpyridin-2-one is sourced from PubChem (CID 118022262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).