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

C13H18N2O3S — CID 43971397

IUPACN-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCc1ccc(N2CC(NS(C)(=O)=O)CC2=O)cc1C
InChIInChI=1S/C13H18N2O3S/c1-9-4-5-12(6-10(9)2)15-8-11(7-13(15)16)14-19(3,17)18/h4-6,11,14H,7-8H2,1-3H3
InChIKeyUWPJTNADCKNTTB-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.96
Rot. Bonds3

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

N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 43971397) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID43971397
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC NameN-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCc1ccc(N2CC(NS(C)(=O)=O)CC2=O)cc1C
InChIInChI=1S/C13H18N2O3S/c1-9-4-5-12(6-10(9)2)15-8-11(7-13(15)16)14-19(3,17)18/h4-6,11,14H,7-8H2,1-3H3
InChIKeyUWPJTNADCKNTTB-UHFFFAOYSA-N
XLogP0.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 43971397) is N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide is Cc1ccc(N2CC(NS(C)(=O)=O)CC2=O)cc1C.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is UWPJTNADCKNTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-9-4-5-12(6-10(9)2)15-8-11(7-13(15)16)14-19(3,17)18/h4-6,11,14H,7-8H2,1-3H3.
What are the key properties of N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 282.37 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 43971397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).