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

C13H15NO3S — CID 677384

IUPAC5-methyl-1-(4-methylphenyl)sulfonyl-2,6-dihydropyridin-3-one
SMILESCC1=CC(=O)CN(S(=O)(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C13H15NO3S/c1-10-3-5-13(6-4-10)18(16,17)14-8-11(2)7-12(15)9-14/h3-7H,8-9H2,1-2H3
InChIKeyAYLOGMDCJVFAAO-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.51
Rot. Bonds2

About 5-methyl-1-(4-methylphenyl)sulfonyl-2,6-dihydropyridin-3-one

5-methyl-1-(4-methylphenyl)sulfonyl-2,6-dihydropyridin-3-one (PubChem CID 677384) has the molecular formula C13H15NO3S and a molecular weight of 265.33 g/mol. Its IUPAC name is 5-methyl-1-(4-methylphenyl)sulfonyl-2,6-dihydropyridin-3-one.

Molecular Properties

Compound Name5-methyl-1-(4-methylphenyl)sulfonyl-2,6-dihydropyridin-3-one
PubChem CID677384
Molecular FormulaC13H15NO3S
Molecular Weight265.33 g/mol
Exact Mass265.08
IUPAC Name5-methyl-1-(4-methylphenyl)sulfonyl-2,6-dihydropyridin-3-one
SMILESCC1=CC(=O)CN(S(=O)(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C13H15NO3S/c1-10-3-5-13(6-4-10)18(16,17)14-8-11(2)7-12(15)9-14/h3-7H,8-9H2,1-2H3
InChIKeyAYLOGMDCJVFAAO-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(4-methylphenyl)sulfonyl-2,6-dihydropyridin-3-one?
The IUPAC name of 5-methyl-1-(4-methylphenyl)sulfonyl-2,6-dihydropyridin-3-one (CID 677384) is 5-methyl-1-(4-methylphenyl)sulfonyl-2,6-dihydropyridin-3-one.
What is the SMILES notation for 5-methyl-1-(4-methylphenyl)sulfonyl-2,6-dihydropyridin-3-one?
The canonical SMILES for 5-methyl-1-(4-methylphenyl)sulfonyl-2,6-dihydropyridin-3-one is CC1=CC(=O)CN(S(=O)(=O)c2ccc(C)cc2)C1.
What is the InChIKey of 5-methyl-1-(4-methylphenyl)sulfonyl-2,6-dihydropyridin-3-one?
The InChIKey is AYLOGMDCJVFAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S/c1-10-3-5-13(6-4-10)18(16,17)14-8-11(2)7-12(15)9-14/h3-7H,8-9H2,1-2H3.
What are the key properties of 5-methyl-1-(4-methylphenyl)sulfonyl-2,6-dihydropyridin-3-one?
5-methyl-1-(4-methylphenyl)sulfonyl-2,6-dihydropyridin-3-one has a molecular weight of 265.33 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(4-methylphenyl)sulfonyl-2,6-dihydropyridin-3-one is sourced from PubChem (CID 677384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).