N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-2,5-dimethylbenzenesulfonamide

C15H20N2O3S — CID 71789260

IUPACN-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NC2CC(=O)N(C3CC3)C2)c1
InChIInChI=1S/C15H20N2O3S/c1-10-3-4-11(2)14(7-10)21(19,20)16-12-8-15(18)17(9-12)13-5-6-13/h3-4,7,12-13,16H,5-6,8-9H2,1-2H3
InChIKeySSPTVPKRCTWKQN-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.35
Rot. Bonds4

About N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-2,5-dimethylbenzenesulfonamide

N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-2,5-dimethylbenzenesulfonamide (PubChem CID 71789260) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-2,5-dimethylbenzenesulfonamide
PubChem CID71789260
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC NameN-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NC2CC(=O)N(C3CC3)C2)c1
InChIInChI=1S/C15H20N2O3S/c1-10-3-4-11(2)14(7-10)21(19,20)16-12-8-15(18)17(9-12)13-5-6-13/h3-4,7,12-13,16H,5-6,8-9H2,1-2H3
InChIKeySSPTVPKRCTWKQN-UHFFFAOYSA-N
XLogP1.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 852268
2,3,5,6-tetramethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 6466704
4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 6470483
4-methyl-N-(4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl)benzenesulfonamide
CID 16375004
N1-cyclopropyl-N2-((1-((2,5-dimethylphenyl)sulfonyl)pyrrolidin-2-yl)methyl)oxalamide
CID 18574930
4-butyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 3738166
N1-cyclopropyl-N2-(2-(1-((2,5-dimethylphenyl)sulfonyl)piperidin-2-yl)ethyl)oxalamide
CID 18574594
N1-cyclopentyl-N2-((1-((2,5-dimethylphenyl)sulfonyl)pyrrolidin-2-yl)methyl)oxalamide
CID 18574896
N1-cycloheptyl-N2-((1-((2,5-dimethylphenyl)sulfonyl)pyrrolidin-2-yl)methyl)oxalamide
CID 18574924
1-(2,5-dimethylphenyl)sulfonyl-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 47090101
3,4-dimethyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 71789126
(3R*,4S*)-1-[(2,5-dimethylphenyl)sulfonyl]-4-propylpyrrolidin-3-amine
CID 72845583

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-2,5-dimethylbenzenesulfonamide (CID 71789260) is N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NC2CC(=O)N(C3CC3)C2)c1.
What is the InChIKey of N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-2,5-dimethylbenzenesulfonamide?
The InChIKey is SSPTVPKRCTWKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-10-3-4-11(2)14(7-10)21(19,20)16-12-8-15(18)17(9-12)13-5-6-13/h3-4,7,12-13,16H,5-6,8-9H2,1-2H3.
What are the key properties of N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-2,5-dimethylbenzenesulfonamide?
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-2,5-dimethylbenzenesulfonamide has a molecular weight of 308.40 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 71789260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).