N-[4-(4-amino-2-oxopyrrolidin-1-yl)phenyl]methanesulfonamide

C11H15N3O3S — CID 168699643

IUPACN-[4-(4-amino-2-oxopyrrolidin-1-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(N2CC(N)CC2=O)cc1
InChIInChI=1S/C11H15N3O3S/c1-18(16,17)13-9-2-4-10(5-3-9)14-7-8(12)6-11(14)15/h2-5,8,13H,6-7,12H2,1H3
InChIKeyDEOCEGOXLSCWLO-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.12
Rot. Bonds3

About N-[4-(4-amino-2-oxopyrrolidin-1-yl)phenyl]methanesulfonamide

N-[4-(4-amino-2-oxopyrrolidin-1-yl)phenyl]methanesulfonamide (PubChem CID 168699643) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is N-[4-(4-amino-2-oxopyrrolidin-1-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(4-amino-2-oxopyrrolidin-1-yl)phenyl]methanesulfonamide
PubChem CID168699643
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC NameN-[4-(4-amino-2-oxopyrrolidin-1-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(N2CC(N)CC2=O)cc1
InChIInChI=1S/C11H15N3O3S/c1-18(16,17)13-9-2-4-10(5-3-9)14-7-8(12)6-11(14)15/h2-5,8,13H,6-7,12H2,1H3
InChIKeyDEOCEGOXLSCWLO-UHFFFAOYSA-N
XLogP0.12
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(methanesulfonamido)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690935
4-amino-1-(4-chlorophenyl)pyrrolidin-2-one;hydrochloride
CID 53433785
4-amino-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one;dihydrochloride
CID 138958614
4-amino-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 43521061
4-amino-1-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-2-one
CID 168699360
4-amino-1-[4-(2-methylpropyl)phenyl]pyrrolidin-2-one
CID 82495819
4-amino-1-(3,4-dimethylphenyl)pyrrolidin-2-one;hydrochloride
CID 71779044
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 7564831
4-(4-amino-2-oxopyrrolidin-1-yl)-N-ethylbenzamide
CID 168699248
4-amino-1-(4-benzylphenyl)pyrrolidin-2-one
CID 168701095
4-amino-1-(3,4-difluorophenyl)pyrrolidin-2-one
CID 43521146
4-amino-1-(4-chloro-3-iodophenyl)pyrrolidin-2-one
CID 168700601

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-amino-2-oxopyrrolidin-1-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(4-amino-2-oxopyrrolidin-1-yl)phenyl]methanesulfonamide (CID 168699643) is N-[4-(4-amino-2-oxopyrrolidin-1-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(4-amino-2-oxopyrrolidin-1-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(4-amino-2-oxopyrrolidin-1-yl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(N2CC(N)CC2=O)cc1.
What is the InChIKey of N-[4-(4-amino-2-oxopyrrolidin-1-yl)phenyl]methanesulfonamide?
The InChIKey is DEOCEGOXLSCWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-18(16,17)13-9-2-4-10(5-3-9)14-7-8(12)6-11(14)15/h2-5,8,13H,6-7,12H2,1H3.
What are the key properties of N-[4-(4-amino-2-oxopyrrolidin-1-yl)phenyl]methanesulfonamide?
N-[4-(4-amino-2-oxopyrrolidin-1-yl)phenyl]methanesulfonamide has a molecular weight of 269.33 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-amino-2-oxopyrrolidin-1-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 168699643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).