N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-4-chloro-N-methylbenzenesulfonamide

C15H22ClN3O3S — CID 120805147

IUPACN-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-4-chloro-N-methylbenzenesulfonamide
SMILESCN(CC(=O)N1CCC(C)(CN)C1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClN3O3S/c1-15(10-17)7-8-19(11-15)14(20)9-18(2)23(21,22)13-5-3-12(16)4-6-13/h3-6H,7-11,17H2,1-2H3
InChIKeyRRTDRJVXHUPANG-UHFFFAOYSA-N
MW359.88 g/mol
LogP1.16
Rot. Bonds5

About N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-4-chloro-N-methylbenzenesulfonamide

N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-4-chloro-N-methylbenzenesulfonamide (PubChem CID 120805147) has the molecular formula C15H22ClN3O3S and a molecular weight of 359.88 g/mol. Its IUPAC name is N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-4-chloro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-4-chloro-N-methylbenzenesulfonamide
PubChem CID120805147
Molecular FormulaC15H22ClN3O3S
Molecular Weight359.88 g/mol
Exact Mass359.11
IUPAC NameN-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-4-chloro-N-methylbenzenesulfonamide
SMILESCN(CC(=O)N1CCC(C)(CN)C1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClN3O3S/c1-15(10-17)7-8-19(11-15)14(20)9-18(2)23(21,22)13-5-3-12(16)4-6-13/h3-6H,7-11,17H2,1-2H3
InChIKeyRRTDRJVXHUPANG-UHFFFAOYSA-N
XLogP1.16
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.88
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-4-chloro-N-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide
CID 120810189
1-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256267
N-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-chloro-N-methylbenzenesulfonamide;hydrochloride
CID 119484347
(3R)-1-[2-[benzenesulfonyl(methyl)amino]acetyl]-3-methylpyrrolidine-3-carboxamide
CID 124842008
N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-4-chloro-N-methylbenzenesulfonamide
CID 119378427
N-[1-(aminomethyl)cyclopentyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 119565832
(3S,4S)-1-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120952806
N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-4-chloro-N-methylbenzenesulfonamide
CID 119467147
N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-4-chloro-N-methylbenzenesulfonamide
CID 6963153
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(5-chloro-2-methoxyphenyl)ethanone;hydrochloride
CID 120804952
4-chloro-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide
CID 119645347
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(3,4-difluorophenyl)ethanone
CID 120809329

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-4-chloro-N-methylbenzenesulfonamide?
The IUPAC name of N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-4-chloro-N-methylbenzenesulfonamide (CID 120805147) is N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-4-chloro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-4-chloro-N-methylbenzenesulfonamide?
The canonical SMILES for N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-4-chloro-N-methylbenzenesulfonamide is CN(CC(=O)N1CCC(C)(CN)C1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-4-chloro-N-methylbenzenesulfonamide?
The InChIKey is RRTDRJVXHUPANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O3S/c1-15(10-17)7-8-19(11-15)14(20)9-18(2)23(21,22)13-5-3-12(16)4-6-13/h3-6H,7-11,17H2,1-2H3.
What are the key properties of N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-4-chloro-N-methylbenzenesulfonamide?
N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-4-chloro-N-methylbenzenesulfonamide has a molecular weight of 359.88 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-4-chloro-N-methylbenzenesulfonamide is sourced from PubChem (CID 120805147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).