2-methyl-5-(3-methylsulfonylthiomorpholine-4-carbonyl)-1H-pyridin-4-one

C12H16N2O4S2 — CID 103749673

IUPAC2-methyl-5-(3-methylsulfonylthiomorpholine-4-carbonyl)-1H-pyridin-4-one
SMILESCc1cc(=O)c(C(=O)N2CCSCC2S(C)(=O)=O)c[nH]1
InChIInChI=1S/C12H16N2O4S2/c1-8-5-10(15)9(6-13-8)12(16)14-3-4-19-7-11(14)20(2,17)18/h5-6,11H,3-4,7H2,1-2H3,(H,13,15)
InChIKeyAXWXDUXZBFTEDI-UHFFFAOYSA-N
MW316.40 g/mol
LogP0.24
Rot. Bonds2

About 2-methyl-5-(3-methylsulfonylthiomorpholine-4-carbonyl)-1H-pyridin-4-one

2-methyl-5-(3-methylsulfonylthiomorpholine-4-carbonyl)-1H-pyridin-4-one (PubChem CID 103749673) has the molecular formula C12H16N2O4S2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-methyl-5-(3-methylsulfonylthiomorpholine-4-carbonyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-methyl-5-(3-methylsulfonylthiomorpholine-4-carbonyl)-1H-pyridin-4-one
PubChem CID103749673
Molecular FormulaC12H16N2O4S2
Molecular Weight316.40 g/mol
Exact Mass316.06
IUPAC Name2-methyl-5-(3-methylsulfonylthiomorpholine-4-carbonyl)-1H-pyridin-4-one
SMILESCc1cc(=O)c(C(=O)N2CCSCC2S(C)(=O)=O)c[nH]1
InChIInChI=1S/C12H16N2O4S2/c1-8-5-10(15)9(6-13-8)12(16)14-3-4-19-7-11(14)20(2,17)18/h5-6,11H,3-4,7H2,1-2H3,(H,13,15)
InChIKeyAXWXDUXZBFTEDI-UHFFFAOYSA-N
XLogP0.24
TPSA87.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-5-(3-methylsulfonylthiomorpholine-4-carbonyl)-1H-pyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-fluoro-2-hydroxyphenyl)-(3-methylsulfonylthiomorpholin-4-yl)methanone
CID 103888895
(2-bromo-4-chlorophenyl)-(3-methylsulfonylthiomorpholin-4-yl)methanone
CID 103765707
(6-chloropyridazin-3-yl)-(3-methylsulfonylthiomorpholin-4-yl)methanone
CID 66383223
(2,3-difluorophenyl)-(3-methylsulfonylthiomorpholin-4-yl)methanone
CID 66382642
(4-aminophenyl)-(3-methylsulfonylthiomorpholin-4-yl)methanone
CID 66383330
5-(3-methylsulfonylthiomorpholine-4-carbonyl)furan-3-carboxylic acid
CID 104607707
5-(2-cyclopentylpyrrolidine-1-carbonyl)-2-methyl-1H-pyridin-4-one
CID 103717698
5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl)-2-methyl-1H-pyridin-4-one
CID 103718289
(4-hydrazinylphenyl)-(3-methylsulfonylthiomorpholin-4-yl)methanone
CID 66383483
1-(3-methylsulfonylthiomorpholin-4-yl)-2-sulfanylethanone
CID 66382518
N-methyl-3-methylsulfonylthiomorpholine-4-carboxamide
CID 116656564
(4-amino-1-methylpyrazol-3-yl)-(3-methylsulfonylthiomorpholin-4-yl)methanone
CID 66370150

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3-methylsulfonylthiomorpholine-4-carbonyl)-1H-pyridin-4-one?
The IUPAC name of 2-methyl-5-(3-methylsulfonylthiomorpholine-4-carbonyl)-1H-pyridin-4-one (CID 103749673) is 2-methyl-5-(3-methylsulfonylthiomorpholine-4-carbonyl)-1H-pyridin-4-one.
What is the SMILES notation for 2-methyl-5-(3-methylsulfonylthiomorpholine-4-carbonyl)-1H-pyridin-4-one?
The canonical SMILES for 2-methyl-5-(3-methylsulfonylthiomorpholine-4-carbonyl)-1H-pyridin-4-one is Cc1cc(=O)c(C(=O)N2CCSCC2S(C)(=O)=O)c[nH]1.
What is the InChIKey of 2-methyl-5-(3-methylsulfonylthiomorpholine-4-carbonyl)-1H-pyridin-4-one?
The InChIKey is AXWXDUXZBFTEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S2/c1-8-5-10(15)9(6-13-8)12(16)14-3-4-19-7-11(14)20(2,17)18/h5-6,11H,3-4,7H2,1-2H3,(H,13,15).
What are the key properties of 2-methyl-5-(3-methylsulfonylthiomorpholine-4-carbonyl)-1H-pyridin-4-one?
2-methyl-5-(3-methylsulfonylthiomorpholine-4-carbonyl)-1H-pyridin-4-one has a molecular weight of 316.40 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(3-methylsulfonylthiomorpholine-4-carbonyl)-1H-pyridin-4-one is sourced from PubChem (CID 103749673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).