1-methyl-3-(2-methylsulfonylanilino)pyrrolidin-2-one

C12H16N2O3S — CID 106258032

IUPAC1-methyl-3-(2-methylsulfonylanilino)pyrrolidin-2-one
SMILESCN1CCC(Nc2ccccc2S(C)(=O)=O)C1=O
InChIInChI=1S/C12H16N2O3S/c1-14-8-7-10(12(14)15)13-9-5-3-4-6-11(9)18(2,16)17/h3-6,10,13H,7-8H2,1-2H3
InChIKeyWNBYBJXYAMYVPZ-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.73
Rot. Bonds3

About 1-methyl-3-(2-methylsulfonylanilino)pyrrolidin-2-one

1-methyl-3-(2-methylsulfonylanilino)pyrrolidin-2-one (PubChem CID 106258032) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 1-methyl-3-(2-methylsulfonylanilino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-(2-methylsulfonylanilino)pyrrolidin-2-one
PubChem CID106258032
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name1-methyl-3-(2-methylsulfonylanilino)pyrrolidin-2-one
SMILESCN1CCC(Nc2ccccc2S(C)(=O)=O)C1=O
InChIInChI=1S/C12H16N2O3S/c1-14-8-7-10(12(14)15)13-9-5-3-4-6-11(9)18(2,16)17/h3-6,10,13H,7-8H2,1-2H3
InChIKeyWNBYBJXYAMYVPZ-UHFFFAOYSA-N
XLogP0.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 106258245
1-methyl-2-oxo-3-(sulfamoylamino)pyrrolidine
CID 103682335
N-cyclohex-2-en-1-yl-2-methylsulfonylaniline
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3-(3-amino-2-nitroanilino)-1-methylpyrrolidin-2-one
CID 106258667
1-cyclopentyl-N-(2-methylsulfonylphenyl)pyrrolidin-3-amine
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2-[(1-methyl-2-oxopyrrolidin-3-yl)sulfamoyl]benzenecarbothioamide
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N-(2-methylsulfonylphenyl)-1-oxothian-4-amine
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2-methylsulfonyl-N-(3-phenylcyclobutyl)aniline
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-methylsulfonylanilino)pyrrolidin-2-one?
The IUPAC name of 1-methyl-3-(2-methylsulfonylanilino)pyrrolidin-2-one (CID 106258032) is 1-methyl-3-(2-methylsulfonylanilino)pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3-(2-methylsulfonylanilino)pyrrolidin-2-one?
The canonical SMILES for 1-methyl-3-(2-methylsulfonylanilino)pyrrolidin-2-one is CN1CCC(Nc2ccccc2S(C)(=O)=O)C1=O.
What is the InChIKey of 1-methyl-3-(2-methylsulfonylanilino)pyrrolidin-2-one?
The InChIKey is WNBYBJXYAMYVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-14-8-7-10(12(14)15)13-9-5-3-4-6-11(9)18(2,16)17/h3-6,10,13H,7-8H2,1-2H3.
What are the key properties of 1-methyl-3-(2-methylsulfonylanilino)pyrrolidin-2-one?
1-methyl-3-(2-methylsulfonylanilino)pyrrolidin-2-one has a molecular weight of 268.34 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-methylsulfonylanilino)pyrrolidin-2-one is sourced from PubChem (CID 106258032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).