1-(2-propan-2-ylsulfonylphenyl)pyrrolidin-2-one

C13H17NO3S — CID 166609167

IUPAC1-(2-propan-2-ylsulfonylphenyl)pyrrolidin-2-one
SMILESCC(C)S(=O)(=O)c1ccccc1N1CCCC1=O
InChIInChI=1S/C13H17NO3S/c1-10(2)18(16,17)12-7-4-3-6-11(12)14-9-5-8-13(14)15/h3-4,6-7,10H,5,8-9H2,1-2H3
InChIKeyPWCWKSDQNHGWNX-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.00
Rot. Bonds3

About 1-(2-propan-2-ylsulfonylphenyl)pyrrolidin-2-one

1-(2-propan-2-ylsulfonylphenyl)pyrrolidin-2-one (PubChem CID 166609167) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 1-(2-propan-2-ylsulfonylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-propan-2-ylsulfonylphenyl)pyrrolidin-2-one
PubChem CID166609167
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name1-(2-propan-2-ylsulfonylphenyl)pyrrolidin-2-one
SMILESCC(C)S(=O)(=O)c1ccccc1N1CCCC1=O
InChIInChI=1S/C13H17NO3S/c1-10(2)18(16,17)12-7-4-3-6-11(12)14-9-5-8-13(14)15/h3-4,6-7,10H,5,8-9H2,1-2H3
InChIKeyPWCWKSDQNHGWNX-UHFFFAOYSA-N
XLogP2.00
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-propan-2-ylsulfonylphenyl)morpholin-3-one
CID 165482191
1-(2-hydroxyphenyl)pyrrolidin-2-one
CID 695303
1-(2,3-dimethylphenyl)pyrrolidin-2-one
CID 69199779
2-fluoro-3-(2-oxopyrrolidin-1-yl)benzenesulfonyl chloride
CID 87289865
2-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 46616352
N-[2-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide
CID 60675578
1-(3-iodo-2-methylphenyl)pyrrolidin-2-one
CID 130498002
1-[2-(2,8-diazaspiro[4.5]decan-8-ylsulfonyl)phenyl]pyrrolidin-2-one
CID 123482403
1-(2-but-3-yn-2-yloxyphenyl)pyrrolidin-2-one
CID 88725731
3,4-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8841739
1-[2-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]pyrrolidin-2-one
CID 107441227
3-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 133145245

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-ylsulfonylphenyl)pyrrolidin-2-one?
The IUPAC name of 1-(2-propan-2-ylsulfonylphenyl)pyrrolidin-2-one (CID 166609167) is 1-(2-propan-2-ylsulfonylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-propan-2-ylsulfonylphenyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-propan-2-ylsulfonylphenyl)pyrrolidin-2-one is CC(C)S(=O)(=O)c1ccccc1N1CCCC1=O.
What is the InChIKey of 1-(2-propan-2-ylsulfonylphenyl)pyrrolidin-2-one?
The InChIKey is PWCWKSDQNHGWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-10(2)18(16,17)12-7-4-3-6-11(12)14-9-5-8-13(14)15/h3-4,6-7,10H,5,8-9H2,1-2H3.
What are the key properties of 1-(2-propan-2-ylsulfonylphenyl)pyrrolidin-2-one?
1-(2-propan-2-ylsulfonylphenyl)pyrrolidin-2-one has a molecular weight of 267.35 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-ylsulfonylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 166609167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).