5-methoxy-1-(4-methylphenyl)sulfonylpyrrolidin-2-one

C12H15NO4S — CID 135051669

IUPAC5-methoxy-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
SMILESCOC1CCC(=O)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H15NO4S/c1-9-3-5-10(6-4-9)18(15,16)13-11(14)7-8-12(13)17-2/h3-6,12H,7-8H2,1-2H3
InChIKeyGRSVHBRHAIRCIX-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.28
Rot. Bonds3

About 5-methoxy-1-(4-methylphenyl)sulfonylpyrrolidin-2-one

5-methoxy-1-(4-methylphenyl)sulfonylpyrrolidin-2-one (PubChem CID 135051669) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is 5-methoxy-1-(4-methylphenyl)sulfonylpyrrolidin-2-one.

Molecular Properties

Compound Name5-methoxy-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
PubChem CID135051669
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name5-methoxy-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
SMILESCOC1CCC(=O)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H15NO4S/c1-9-3-5-10(6-4-9)18(15,16)13-11(14)7-8-12(13)17-2/h3-6,12H,7-8H2,1-2H3
InChIKeyGRSVHBRHAIRCIX-UHFFFAOYSA-N
XLogP1.28
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-bromophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
CID 78141036
5-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
CID 78141035
(4S,5S)-4,5-dimethoxy-1-(4-methylphenyl)sulfonylimidazolidin-2-one
CID 122390536
(2R)-N-cyclopropyl-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
CID 27260603
(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
CID 102585686
(2R)-N-methyl-N-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
CID 93059318
(2R)-N-(3,5-dimethoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
CID 1093265
(5R)-1-(4-methylphenyl)sulfonyl-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 1093273
(5S)-1-(4-methylphenyl)sulfonyl-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 1093274
imino-[2-[1-(4-methylphenyl)sulfonyl-5-oxopyrrolidin-2-yl]-2-oxoethylidene]azanium
CID 44826218
N-(2,4-dimethoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
CID 2957869
4-[1-(4-methylphenyl)sulfonyl-5-oxopyrrolidin-2-yl]pent-4-enal
CID 11336214

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-(4-methylphenyl)sulfonylpyrrolidin-2-one?
The IUPAC name of 5-methoxy-1-(4-methylphenyl)sulfonylpyrrolidin-2-one (CID 135051669) is 5-methoxy-1-(4-methylphenyl)sulfonylpyrrolidin-2-one.
What is the SMILES notation for 5-methoxy-1-(4-methylphenyl)sulfonylpyrrolidin-2-one?
The canonical SMILES for 5-methoxy-1-(4-methylphenyl)sulfonylpyrrolidin-2-one is COC1CCC(=O)N1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 5-methoxy-1-(4-methylphenyl)sulfonylpyrrolidin-2-one?
The InChIKey is GRSVHBRHAIRCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4S/c1-9-3-5-10(6-4-9)18(15,16)13-11(14)7-8-12(13)17-2/h3-6,12H,7-8H2,1-2H3.
What are the key properties of 5-methoxy-1-(4-methylphenyl)sulfonylpyrrolidin-2-one?
5-methoxy-1-(4-methylphenyl)sulfonylpyrrolidin-2-one has a molecular weight of 269.32 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-(4-methylphenyl)sulfonylpyrrolidin-2-one is sourced from PubChem (CID 135051669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).