N-methyl-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]benzenesulfonamide

C15H25N3O2S — CID 62994735

IUPACN-methyl-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1NCC(C)CN1CCCC1
InChIInChI=1S/C15H25N3O2S/c1-13(12-18-9-5-6-10-18)11-17-14-7-3-4-8-15(14)21(19,20)16-2/h3-4,7-8,13,16-17H,5-6,9-12H2,1-2H3
InChIKeyIFGQEVSHFVITLD-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.74
Rot. Bonds7

About N-methyl-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]benzenesulfonamide

N-methyl-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]benzenesulfonamide (PubChem CID 62994735) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-methyl-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]benzenesulfonamide
PubChem CID62994735
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-methyl-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1NCC(C)CN1CCCC1
InChIInChI=1S/C15H25N3O2S/c1-13(12-18-9-5-6-10-18)11-17-14-7-3-4-8-15(14)21(19,20)16-2/h3-4,7-8,13,16-17H,5-6,9-12H2,1-2H3
InChIKeyIFGQEVSHFVITLD-UHFFFAOYSA-N
XLogP1.74
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-methyl-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]benzenesulfonamide 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

2-ethylsulfonyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)aniline
CID 62994733
N-methyl-2-[[2-methyl-3-(methylamino)propyl]amino]benzenesulfonamide
CID 113282668
2-[(4-amino-2-methylbutyl)amino]-N-methylbenzenesulfonamide
CID 66106821
2-(2,3-dimethylbutylamino)-N-methylbenzenesulfonamide
CID 64596946
2-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 62991124
2-(2,2-difluoroethylamino)-N-methylbenzenesulfonamide
CID 115407635
2-(2-methoxypropylamino)-N-methylbenzenesulfonamide
CID 102698834
2-[[2-(aminomethyl)-3-methylbutyl]amino]-N-methylbenzenesulfonamide
CID 107441821
2-ethylsulfonyl-N-(1-pyrrolidin-1-ylpropan-2-yl)aniline
CID 61474408
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 55879122
2-[2-(methylsulfamoyl)anilino]-N-propan-2-ylacetamide
CID 43567944
2-[(3-ethyl-2-hydroxypentyl)amino]-N-methylbenzenesulfonamide
CID 106287402

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]benzenesulfonamide?
The IUPAC name of N-methyl-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]benzenesulfonamide (CID 62994735) is N-methyl-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]benzenesulfonamide.
What is the SMILES notation for N-methyl-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]benzenesulfonamide?
The canonical SMILES for N-methyl-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]benzenesulfonamide is CNS(=O)(=O)c1ccccc1NCC(C)CN1CCCC1.
What is the InChIKey of N-methyl-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]benzenesulfonamide?
The InChIKey is IFGQEVSHFVITLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-13(12-18-9-5-6-10-18)11-17-14-7-3-4-8-15(14)21(19,20)16-2/h3-4,7-8,13,16-17H,5-6,9-12H2,1-2H3.
What are the key properties of N-methyl-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]benzenesulfonamide?
N-methyl-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]benzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]benzenesulfonamide is sourced from PubChem (CID 62994735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).