6-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydropyridin-2-one

C13H15NO3S — CID 132524969

IUPAC6-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydropyridin-2-one
SMILESCC1=CCCC(=O)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C13H15NO3S/c1-10-6-8-12(9-7-10)18(16,17)14-11(2)4-3-5-13(14)15/h4,6-9H,3,5H2,1-2H3
InChIKeyICMSSQDQECLKQY-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.21
Rot. Bonds2

About 6-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydropyridin-2-one

6-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydropyridin-2-one (PubChem CID 132524969) has the molecular formula C13H15NO3S and a molecular weight of 265.33 g/mol. Its IUPAC name is 6-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name6-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydropyridin-2-one
PubChem CID132524969
Molecular FormulaC13H15NO3S
Molecular Weight265.33 g/mol
Exact Mass265.08
IUPAC Name6-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydropyridin-2-one
SMILESCC1=CCCC(=O)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C13H15NO3S/c1-10-6-8-12(9-7-10)18(16,17)14-11(2)4-3-5-13(14)15/h4,6-9H,3,5H2,1-2H3
InChIKeyICMSSQDQECLKQY-UHFFFAOYSA-N
XLogP2.21
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(4-methylphenyl)sulfonyl-4,5-dihydro-1-benzazepine
CID 102483043
1-(4-methylphenyl)sulfonylazetidine-2,4-dione
CID 82664020
4-cyclopropylidene-1-(4-methylphenyl)sulfonylpiperidine
CID 121187247
(3Z,7Z)-1-(4-methylphenyl)sulfonyl-2,5,6,9-tetrahydroazonine
CID 101406646
5-methyl-1-(4-methylphenyl)sulfonyl-3H-indol-2-one
CID 71697522
4-methyl-1-(4-methylphenyl)sulfonyl-2,3,6,7-tetrahydroazepine
CID 67224813
(6Z)-1-(4-methylphenyl)sulfonyl-2,4,5,8-tetrahydroazocin-3-one
CID 102167757
1-(4-methylphenyl)sulfonyl-azacycloundecane
CID 12715310
2,6-bis-(4-methylphenyl)sulfonyl-2,6-diazaspiro[3.3]heptane
CID 44829122
1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine
CID 17371555
4,6-dimethyl-1-(4-methylphenyl)sulfonyl-3H-indol-2-one
CID 71697524
4-bromo-1-(4-methylphenyl)sulfonylpyrrolidin-3-one;ethane
CID 143616504

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydropyridin-2-one?
The IUPAC name of 6-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydropyridin-2-one (CID 132524969) is 6-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydropyridin-2-one.
What is the SMILES notation for 6-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydropyridin-2-one?
The canonical SMILES for 6-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydropyridin-2-one is CC1=CCCC(=O)N1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 6-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydropyridin-2-one?
The InChIKey is ICMSSQDQECLKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S/c1-10-6-8-12(9-7-10)18(16,17)14-11(2)4-3-5-13(14)15/h4,6-9H,3,5H2,1-2H3.
What are the key properties of 6-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydropyridin-2-one?
6-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydropyridin-2-one has a molecular weight of 265.33 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydropyridin-2-one is sourced from PubChem (CID 132524969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).