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

C13H18N2O3S — CID 168681682

IUPAC[1-(2,3-dimethylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCc1cccc(N2CC(CS(N)(=O)=O)CC2=O)c1C
InChIInChI=1S/C13H18N2O3S/c1-9-4-3-5-12(10(9)2)15-7-11(6-13(15)16)8-19(14,17)18/h3-5,11H,6-8H2,1-2H3,(H2,14,17,18)
InChIKeyOOIPGDNZRBOPKJ-UHFFFAOYSA-N
MW282.36 g/mol
LogP0.94
Rot. Bonds3

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

[1-(2,3-dimethylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168681682) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is [1-(2,3-dimethylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(2,3-dimethylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168681682
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name[1-(2,3-dimethylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCc1cccc(N2CC(CS(N)(=O)=O)CC2=O)c1C
InChIInChI=1S/C13H18N2O3S/c1-9-4-3-5-12(10(9)2)15-7-11(6-13(15)16)8-19(14,17)18/h3-5,11H,6-8H2,1-2H3,(H2,14,17,18)
InChIKeyOOIPGDNZRBOPKJ-UHFFFAOYSA-N
XLogP0.94
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(6-amino-2,3-dimethylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681412
[1-(4-amino-2-methylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681397
[1-(2-cyclopropylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682896
[5-oxo-1-(1-oxo-3H-2-benzofuran-4-yl)pyrrolidin-3-yl]methanesulfonamide
CID 168683193
[1-(8-methylquinolin-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681419
[1-(6-chloro-2-methyl-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681533
[1-[2-methyl-3-(trifluoromethyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673398
[1-(6-fluoro-4-methyl-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681619
[1-(5-chloro-2-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682417
[(3R)-1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 97297929
[1-(2-cyano-3-methylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676196
[1-(2-ethoxy-5-methylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680870

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dimethylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-(2,3-dimethylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168681682) is [1-(2,3-dimethylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-(2,3-dimethylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-(2,3-dimethylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide is Cc1cccc(N2CC(CS(N)(=O)=O)CC2=O)c1C.
What is the InChIKey of [1-(2,3-dimethylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is OOIPGDNZRBOPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-9-4-3-5-12(10(9)2)15-7-11(6-13(15)16)8-19(14,17)18/h3-5,11H,6-8H2,1-2H3,(H2,14,17,18).
What are the key properties of [1-(2,3-dimethylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-(2,3-dimethylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 282.36 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dimethylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168681682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).