3-methyl-1-(4-methylphenyl)sulfonyl-3-phenylsulfanylpiperidin-2-one

C19H21NO3S2 — CID 10248904

IUPAC3-methyl-1-(4-methylphenyl)sulfonyl-3-phenylsulfanylpiperidin-2-one
SMILESCc1ccc(S(=O)(=O)N2CCCC(C)(Sc3ccccc3)C2=O)cc1
InChIInChI=1S/C19H21NO3S2/c1-15-9-11-17(12-10-15)25(22,23)20-14-6-13-19(2,18(20)21)24-16-7-4-3-5-8-16/h3-5,7-12H,6,13-14H2,1-2H3
InChIKeyMUVWJMBQHWTHMA-UHFFFAOYSA-N
MW375.52 g/mol
LogP3.86
Rot. Bonds4

About 3-methyl-1-(4-methylphenyl)sulfonyl-3-phenylsulfanylpiperidin-2-one

3-methyl-1-(4-methylphenyl)sulfonyl-3-phenylsulfanylpiperidin-2-one (PubChem CID 10248904) has the molecular formula C19H21NO3S2 and a molecular weight of 375.52 g/mol. Its IUPAC name is 3-methyl-1-(4-methylphenyl)sulfonyl-3-phenylsulfanylpiperidin-2-one.

Molecular Properties

Compound Name3-methyl-1-(4-methylphenyl)sulfonyl-3-phenylsulfanylpiperidin-2-one
PubChem CID10248904
Molecular FormulaC19H21NO3S2
Molecular Weight375.52 g/mol
Exact Mass375.10
IUPAC Name3-methyl-1-(4-methylphenyl)sulfonyl-3-phenylsulfanylpiperidin-2-one
SMILESCc1ccc(S(=O)(=O)N2CCCC(C)(Sc3ccccc3)C2=O)cc1
InChIInChI=1S/C19H21NO3S2/c1-15-9-11-17(12-10-15)25(22,23)20-14-6-13-19(2,18(20)21)24-16-7-4-3-5-8-16/h3-5,7-12H,6,13-14H2,1-2H3
InChIKeyMUVWJMBQHWTHMA-UHFFFAOYSA-N
XLogP3.86
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,4-dimethyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinoline
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6,6-dimethyl-1-(4-methylphenyl)sulfonyl-4-phenylsulfanyl-2,3-dihydropyridine
CID 15440132
1-(4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole
CID 34885089
1,4-bis-(4-methylphenyl)sulfonyl-3,5,6,7-tetrahydro-2H-pyrrolo[3,2-b]pyridine
CID 101444934
5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-phenyl-1,2-dihydro-3-benzazepin-4-one
CID 155907249
(1S)-2-(4-methylphenyl)sulfonyl-1-phenyl-2-azaspiro[3.6]decan-3-one
CID 101161455
1-(4-methylphenyl)sulfonyl-2-phenylpyrrolidin-3-one
CID 86002564
1-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydro-6,1-benzoxazonin-7-one
CID 102529621
1-(4-methylphenyl)sulfonyl-4-phenyl-1-azaspiro[4.6]undecane
CID 11234463
3-methylidene-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
CID 10956008
(1R,6R)-1-methyl-3-(4-methylphenyl)sulfonyl-6-phenyl-3-azabicyclo[4.1.0]heptane-4,5-dione
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-methylphenyl)sulfonyl-3-phenylsulfanylpiperidin-2-one?
The IUPAC name of 3-methyl-1-(4-methylphenyl)sulfonyl-3-phenylsulfanylpiperidin-2-one (CID 10248904) is 3-methyl-1-(4-methylphenyl)sulfonyl-3-phenylsulfanylpiperidin-2-one.
What is the SMILES notation for 3-methyl-1-(4-methylphenyl)sulfonyl-3-phenylsulfanylpiperidin-2-one?
The canonical SMILES for 3-methyl-1-(4-methylphenyl)sulfonyl-3-phenylsulfanylpiperidin-2-one is Cc1ccc(S(=O)(=O)N2CCCC(C)(Sc3ccccc3)C2=O)cc1.
What is the InChIKey of 3-methyl-1-(4-methylphenyl)sulfonyl-3-phenylsulfanylpiperidin-2-one?
The InChIKey is MUVWJMBQHWTHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3S2/c1-15-9-11-17(12-10-15)25(22,23)20-14-6-13-19(2,18(20)21)24-16-7-4-3-5-8-16/h3-5,7-12H,6,13-14H2,1-2H3.
What are the key properties of 3-methyl-1-(4-methylphenyl)sulfonyl-3-phenylsulfanylpiperidin-2-one?
3-methyl-1-(4-methylphenyl)sulfonyl-3-phenylsulfanylpiperidin-2-one has a molecular weight of 375.52 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-methylphenyl)sulfonyl-3-phenylsulfanylpiperidin-2-one is sourced from PubChem (CID 10248904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).