N-[4-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]methanesulfonamide

C13H23N3O2S — CID 107441669

IUPACN-[4-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]methanesulfonamide
SMILESCC(C)C(CN)CNc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C13H23N3O2S/c1-10(2)11(8-14)9-15-12-4-6-13(7-5-12)16-19(3,17)18/h4-7,10-11,15-16H,8-9,14H2,1-3H3
InChIKeyDXYAUUMKLVYACW-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.70
Rot. Bonds7

About N-[4-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]methanesulfonamide

N-[4-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]methanesulfonamide (PubChem CID 107441669) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-[4-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]methanesulfonamide
PubChem CID107441669
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC NameN-[4-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]methanesulfonamide
SMILESCC(C)C(CN)CNc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C13H23N3O2S/c1-10(2)11(8-14)9-15-12-4-6-13(7-5-12)16-19(3,17)18/h4-7,10-11,15-16H,8-9,14H2,1-3H3
InChIKeyDXYAUUMKLVYACW-UHFFFAOYSA-N
XLogP1.70
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]methanesulfonamide 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'-(4-methylsulfanylphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 107440975
N-[4-(1-aminopropan-2-ylamino)phenyl]methanesulfonamide
CID 103388606
methyl N-[4-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]carbamate
CID 107441699
N'-(3,4-difluorophenyl)-2-propan-2-ylpropane-1,3-diamine
CID 107441027
3-[[2-(aminomethyl)-3-methylbutyl]amino]-N-methylbenzenesulfonamide
CID 107441517
2-propan-2-yl-N'-[4-(trifluoromethoxy)phenyl]propane-1,3-diamine
CID 107441006
2-methyl-N'-(4-methylsulfonylphenyl)propane-1,3-diamine
CID 65035671
N'-(4-fluoro-3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 107442185
N-[4-(aminomethyl)phenyl]methanesulfonamide;ethane
CID 142116771
2-[[2-(aminomethyl)-3-methylbutyl]amino]-N-methylbenzenesulfonamide
CID 107441821
N'-(2,6-dichlorophenyl)-2-propan-2-ylpropane-1,3-diamine
CID 107442365
5-[[2-(aminomethyl)-3-methylbutyl]amino]benzene-1,3-dicarboxamide
CID 107441237

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]methanesulfonamide (CID 107441669) is N-[4-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]methanesulfonamide is CC(C)C(CN)CNc1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-[4-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]methanesulfonamide?
The InChIKey is DXYAUUMKLVYACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-10(2)11(8-14)9-15-12-4-6-13(7-5-12)16-19(3,17)18/h4-7,10-11,15-16H,8-9,14H2,1-3H3.
What are the key properties of N-[4-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]methanesulfonamide?
N-[4-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]methanesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 1.70, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]methanesulfonamide is sourced from PubChem (CID 107441669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).