[1-[2-(2,4-dimethylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide

C15H22N2O3S — CID 168681596

IUPAC[1-[2-(2,4-dimethylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCc1ccc(CCN2CC(CS(N)(=O)=O)CC2=O)c(C)c1
InChIInChI=1S/C15H22N2O3S/c1-11-3-4-14(12(2)7-11)5-6-17-9-13(8-15(17)18)10-21(16,19)20/h3-4,7,13H,5-6,8-10H2,1-2H3,(H2,16,19,20)
InChIKeyDJQSJXPQBNPTMX-UHFFFAOYSA-N
MW310.42 g/mol
LogP0.98
Rot. Bonds5

About [1-[2-(2,4-dimethylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide

[1-[2-(2,4-dimethylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168681596) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is [1-[2-(2,4-dimethylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-[2-(2,4-dimethylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168681596
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name[1-[2-(2,4-dimethylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCc1ccc(CCN2CC(CS(N)(=O)=O)CC2=O)c(C)c1
InChIInChI=1S/C15H22N2O3S/c1-11-3-4-14(12(2)7-11)5-6-17-9-13(8-15(17)18)10-21(16,19)20/h3-4,7,13H,5-6,8-10H2,1-2H3,(H2,16,19,20)
InChIKeyDJQSJXPQBNPTMX-UHFFFAOYSA-N
XLogP0.98
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681654
1-[2-(2,4-dimethylphenyl)ethyl]-4-hydroxypyrrolidin-2-one
CID 168702642
[1-[2-(2,5-dichlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681951
S-[[1-[2-(2,4-dimethylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168667271
[1-[2-(4-ethylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680902
[1-[2-(4-tert-butylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680607
[1-[2-(1H-indazol-4-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682006
[1-[2-(1,3-oxazol-4-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682022
[1-(3-hydroxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681907
[1-(3-methoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681092
[1-(2-isoquinolin-1-ylethyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682033
[5-oxo-1-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrrolidin-3-yl]methanesulfonamide
CID 168681920

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2,4-dimethylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-[2-(2,4-dimethylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168681596) is [1-[2-(2,4-dimethylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-[2-(2,4-dimethylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-[2-(2,4-dimethylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide is Cc1ccc(CCN2CC(CS(N)(=O)=O)CC2=O)c(C)c1.
What is the InChIKey of [1-[2-(2,4-dimethylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is DJQSJXPQBNPTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-11-3-4-14(12(2)7-11)5-6-17-9-13(8-15(17)18)10-21(16,19)20/h3-4,7,13H,5-6,8-10H2,1-2H3,(H2,16,19,20).
What are the key properties of [1-[2-(2,4-dimethylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-[2-(2,4-dimethylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 310.42 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2,4-dimethylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168681596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).