1-methyl-4-[(3-methylphenyl)methylsulfonylmethyl]pyridin-2-one

C15H17NO3S — CID 75461654

IUPAC1-methyl-4-[(3-methylphenyl)methylsulfonylmethyl]pyridin-2-one
SMILESCc1cccc(CS(=O)(=O)Cc2ccn(C)c(=O)c2)c1
InChIInChI=1S/C15H17NO3S/c1-12-4-3-5-13(8-12)10-20(18,19)11-14-6-7-16(2)15(17)9-14/h3-9H,10-11H2,1-2H3
InChIKeyLZZRIGLELRLLQP-UHFFFAOYSA-N
MW291.37 g/mol
LogP1.81
Rot. Bonds4

About 1-methyl-4-[(3-methylphenyl)methylsulfonylmethyl]pyridin-2-one

1-methyl-4-[(3-methylphenyl)methylsulfonylmethyl]pyridin-2-one (PubChem CID 75461654) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 1-methyl-4-[(3-methylphenyl)methylsulfonylmethyl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-4-[(3-methylphenyl)methylsulfonylmethyl]pyridin-2-one
PubChem CID75461654
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name1-methyl-4-[(3-methylphenyl)methylsulfonylmethyl]pyridin-2-one
SMILESCc1cccc(CS(=O)(=O)Cc2ccn(C)c(=O)c2)c1
InChIInChI=1S/C15H17NO3S/c1-12-4-3-5-13(8-12)10-20(18,19)11-14-6-7-16(2)15(17)9-14/h3-9H,10-11H2,1-2H3
InChIKeyLZZRIGLELRLLQP-UHFFFAOYSA-N
XLogP1.81
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-fluorophenyl)methylsulfonylmethyl]-1-methylpyridin-2-one
CID 75461659
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4-[(3,5-dimethylphenyl)methylsulfinylmethyl]-1-methylpyridin-2-one
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2-methoxy-5-[(3-methylphenyl)methylsulfonylmethyl]aniline
CID 62769862
3-methyl-5-[(3-methylphenyl)methylsulfonylmethyl]-1,2,4-oxadiazole
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1-butyl-6-[(3-methylphenyl)methylsulfonylmethyl]-3,4-dihydroquinolin-2-one
CID 159745597
1-ethylsulfonyl-4-[(3-methylphenyl)methylsulfonyl]piperazine
CID 110819012
(2R)-N-benzyl-N-methyl-2-[(1-methyl-2-oxo-4-pyridinyl)methylsulfonyl]propanamide
CID 51962041
5-[(3-methylphenyl)methylsulfonylmethyl]thiophene-2-carboxylic acid
CID 63378225
N-methyl-1-[(3-methylphenyl)methylsulfonyl]butan-2-amine
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N-[2-(2,4-dioxopyrimidin-1-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 154769759

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(3-methylphenyl)methylsulfonylmethyl]pyridin-2-one?
The IUPAC name of 1-methyl-4-[(3-methylphenyl)methylsulfonylmethyl]pyridin-2-one (CID 75461654) is 1-methyl-4-[(3-methylphenyl)methylsulfonylmethyl]pyridin-2-one.
What is the SMILES notation for 1-methyl-4-[(3-methylphenyl)methylsulfonylmethyl]pyridin-2-one?
The canonical SMILES for 1-methyl-4-[(3-methylphenyl)methylsulfonylmethyl]pyridin-2-one is Cc1cccc(CS(=O)(=O)Cc2ccn(C)c(=O)c2)c1.
What is the InChIKey of 1-methyl-4-[(3-methylphenyl)methylsulfonylmethyl]pyridin-2-one?
The InChIKey is LZZRIGLELRLLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-12-4-3-5-13(8-12)10-20(18,19)11-14-6-7-16(2)15(17)9-14/h3-9H,10-11H2,1-2H3.
What are the key properties of 1-methyl-4-[(3-methylphenyl)methylsulfonylmethyl]pyridin-2-one?
1-methyl-4-[(3-methylphenyl)methylsulfonylmethyl]pyridin-2-one has a molecular weight of 291.37 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(3-methylphenyl)methylsulfonylmethyl]pyridin-2-one is sourced from PubChem (CID 75461654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).