4-(benzylsulfonylmethyl)-1-methylpyridin-2-one

C14H15NO3S — CID 75461657

IUPAC4-(benzylsulfonylmethyl)-1-methylpyridin-2-one
SMILESCn1ccc(CS(=O)(=O)Cc2ccccc2)cc1=O
InChIInChI=1S/C14H15NO3S/c1-15-8-7-13(9-14(15)16)11-19(17,18)10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3
InChIKeyVCFUXZKLBGAKBS-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.50
Rot. Bonds4

About 4-(benzylsulfonylmethyl)-1-methylpyridin-2-one

4-(benzylsulfonylmethyl)-1-methylpyridin-2-one (PubChem CID 75461657) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is 4-(benzylsulfonylmethyl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-(benzylsulfonylmethyl)-1-methylpyridin-2-one
PubChem CID75461657
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Name4-(benzylsulfonylmethyl)-1-methylpyridin-2-one
SMILESCn1ccc(CS(=O)(=O)Cc2ccccc2)cc1=O
InChIInChI=1S/C14H15NO3S/c1-15-8-7-13(9-14(15)16)11-19(17,18)10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3
InChIKeyVCFUXZKLBGAKBS-UHFFFAOYSA-N
XLogP1.50
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Benzylsulfonyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 1094083
N,N-dimethyl-2-[(4-methylphenyl)sulfonyl]acetamide
CID 975418
3-(benzylsulfonyl)-4,6-dimethyl-2(1H)-pyridinone
CID 1479284
1,4,6-trimethyl-3-[(2-methylphenyl)sulfonyl]-2(1H)-pyridinone
CID 1483847
2-(benzylsulfonyl)-N,N-diisobutylacetamide
CID 2218678
5H-Thiazolo(3,2-a)pyridin-5-one, 2,3-dihydro-7-phenyl-, 1-oxide
CID 3050280
N-butyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)cinnamamide
CID 18573611
N-(1,1-dioxidotetrahydro-3-thienyl)-N-methyl-3-phenylacrylamide
CID 5735467
methylillukumbin A
CID 10889824
4-[(2,5-Dimethylphenyl)methylsulfonylmethyl]-1-methylpyridin-2-one
CID 56814514
N-[(2-oxo-1H-pyridin-4-yl)methyl]-1-phenylmethanesulfonamide
CID 75399754
1-Methyl-4-[(3-methylphenyl)methylsulfonylmethyl]pyridin-2-one
CID 75461654

Frequently Asked Questions

What is the IUPAC name of 4-(benzylsulfonylmethyl)-1-methylpyridin-2-one?
The IUPAC name of 4-(benzylsulfonylmethyl)-1-methylpyridin-2-one (CID 75461657) is 4-(benzylsulfonylmethyl)-1-methylpyridin-2-one.
What is the SMILES notation for 4-(benzylsulfonylmethyl)-1-methylpyridin-2-one?
The canonical SMILES for 4-(benzylsulfonylmethyl)-1-methylpyridin-2-one is Cn1ccc(CS(=O)(=O)Cc2ccccc2)cc1=O.
What is the InChIKey of 4-(benzylsulfonylmethyl)-1-methylpyridin-2-one?
The InChIKey is VCFUXZKLBGAKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-15-8-7-13(9-14(15)16)11-19(17,18)10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3.
What are the key properties of 4-(benzylsulfonylmethyl)-1-methylpyridin-2-one?
4-(benzylsulfonylmethyl)-1-methylpyridin-2-one has a molecular weight of 277.35 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylsulfonylmethyl)-1-methylpyridin-2-one is sourced from PubChem (CID 75461657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).