[5-oxo-1-(4-phenylbutan-2-yl)pyrrolidin-3-yl]methanesulfonamide

C15H22N2O3S — CID 168680206

IUPAC[5-oxo-1-(4-phenylbutan-2-yl)pyrrolidin-3-yl]methanesulfonamide
SMILESCC(CCc1ccccc1)N1CC(CS(N)(=O)=O)CC1=O
InChIInChI=1S/C15H22N2O3S/c1-12(7-8-13-5-3-2-4-6-13)17-10-14(9-15(17)18)11-21(16,19)20/h2-6,12,14H,7-11H2,1H3,(H2,16,19,20)
InChIKeySECSYDCQFNWCBI-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.14
Rot. Bonds6

About [5-oxo-1-(4-phenylbutan-2-yl)pyrrolidin-3-yl]methanesulfonamide

[5-oxo-1-(4-phenylbutan-2-yl)pyrrolidin-3-yl]methanesulfonamide (PubChem CID 168680206) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is [5-oxo-1-(4-phenylbutan-2-yl)pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[5-oxo-1-(4-phenylbutan-2-yl)pyrrolidin-3-yl]methanesulfonamide
PubChem CID168680206
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name[5-oxo-1-(4-phenylbutan-2-yl)pyrrolidin-3-yl]methanesulfonamide
SMILESCC(CCc1ccccc1)N1CC(CS(N)(=O)=O)CC1=O
InChIInChI=1S/C15H22N2O3S/c1-12(7-8-13-5-3-2-4-6-13)17-10-14(9-15(17)18)11-21(16,19)20/h2-6,12,14H,7-11H2,1H3,(H2,16,19,20)
InChIKeySECSYDCQFNWCBI-UHFFFAOYSA-N
XLogP1.14
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]-4-phenylbutanoic acid
CID 168680411
[1-[(2S)-1-hydroxypropan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680344
(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonamide
CID 168680649
(1-hexan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonamide
CID 168680295
S-[[5-oxo-1-(4-phenylbutan-2-yl)pyrrolidin-3-yl]methyl] ethanethioate
CID 168665881
[1-[1-(2,6-dimethylphenoxy)propan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680220
(2R,3S)-3-methyl-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid
CID 168680118
(2S)-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid
CID 168680303
[1-[1-(2,5-dimethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680227
[1-(4-methyl-4-phenylpentan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674714
1-(4-phenylbutan-2-yl)piperazin-2-one
CID 64566624
[1-[2-(4-ethylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680902

Frequently Asked Questions

What is the IUPAC name of [5-oxo-1-(4-phenylbutan-2-yl)pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [5-oxo-1-(4-phenylbutan-2-yl)pyrrolidin-3-yl]methanesulfonamide (CID 168680206) is [5-oxo-1-(4-phenylbutan-2-yl)pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [5-oxo-1-(4-phenylbutan-2-yl)pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [5-oxo-1-(4-phenylbutan-2-yl)pyrrolidin-3-yl]methanesulfonamide is CC(CCc1ccccc1)N1CC(CS(N)(=O)=O)CC1=O.
What is the InChIKey of [5-oxo-1-(4-phenylbutan-2-yl)pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is SECSYDCQFNWCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-12(7-8-13-5-3-2-4-6-13)17-10-14(9-15(17)18)11-21(16,19)20/h2-6,12,14H,7-11H2,1H3,(H2,16,19,20).
What are the key properties of [5-oxo-1-(4-phenylbutan-2-yl)pyrrolidin-3-yl]methanesulfonamide?
[5-oxo-1-(4-phenylbutan-2-yl)pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 310.42 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-oxo-1-(4-phenylbutan-2-yl)pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168680206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).