N-methyl-2-[[2-methyl-3-(methylamino)propyl]amino]benzenesulfonamide

C12H21N3O2S — CID 113282668

IUPACN-methyl-2-[[2-methyl-3-(methylamino)propyl]amino]benzenesulfonamide
SMILESCNCC(C)CNc1ccccc1S(=O)(=O)NC
InChIInChI=1S/C12H21N3O2S/c1-10(8-13-2)9-15-11-6-4-5-7-12(11)18(16,17)14-3/h4-7,10,13-15H,8-9H2,1-3H3
InChIKeyGMMSPLMJCJHZRA-UHFFFAOYSA-N
MW271.39 g/mol
LogP0.86
Rot. Bonds7

About N-methyl-2-[[2-methyl-3-(methylamino)propyl]amino]benzenesulfonamide

N-methyl-2-[[2-methyl-3-(methylamino)propyl]amino]benzenesulfonamide (PubChem CID 113282668) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-methyl-2-[[2-methyl-3-(methylamino)propyl]amino]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-2-[[2-methyl-3-(methylamino)propyl]amino]benzenesulfonamide
PubChem CID113282668
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC NameN-methyl-2-[[2-methyl-3-(methylamino)propyl]amino]benzenesulfonamide
SMILESCNCC(C)CNc1ccccc1S(=O)(=O)NC
InChIInChI=1S/C12H21N3O2S/c1-10(8-13-2)9-15-11-6-4-5-7-12(11)18(16,17)14-3/h4-7,10,13-15H,8-9H2,1-3H3
InChIKeyGMMSPLMJCJHZRA-UHFFFAOYSA-N
XLogP0.86
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-amino-2-methylbutyl)amino]-N-methylbenzenesulfonamide
CID 66106821
2-(2,3-dimethylbutylamino)-N-methylbenzenesulfonamide
CID 64596946
2-(2,2-difluoroethylamino)-N-methylbenzenesulfonamide
CID 115407635
2-(2-methoxypropylamino)-N-methylbenzenesulfonamide
CID 102698834
N-methyl-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]benzenesulfonamide
CID 62994735
2-[[2-(aminomethyl)-3-methylbutyl]amino]-N-methylbenzenesulfonamide
CID 107441821
N-methyl-4-[[2-methyl-3-(methylamino)propyl]amino]benzenesulfonamide
CID 113282613
2-[(3-ethyl-2-hydroxypentyl)amino]-N-methylbenzenesulfonamide
CID 106287402
N-methyl-2-(3-methylpentan-2-ylamino)benzenesulfonamide
CID 43749839
2-[[2-(methylsulfamoyl)anilino]methyl]butanoic acid
CID 65226875
2-[2-(methylsulfamoyl)anilino]-N-propan-2-ylacetamide
CID 43567944
2-(3,3-dimethylbutylamino)-N-methylbenzenesulfonamide
CID 62951903

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[2-methyl-3-(methylamino)propyl]amino]benzenesulfonamide?
The IUPAC name of N-methyl-2-[[2-methyl-3-(methylamino)propyl]amino]benzenesulfonamide (CID 113282668) is N-methyl-2-[[2-methyl-3-(methylamino)propyl]amino]benzenesulfonamide.
What is the SMILES notation for N-methyl-2-[[2-methyl-3-(methylamino)propyl]amino]benzenesulfonamide?
The canonical SMILES for N-methyl-2-[[2-methyl-3-(methylamino)propyl]amino]benzenesulfonamide is CNCC(C)CNc1ccccc1S(=O)(=O)NC.
What is the InChIKey of N-methyl-2-[[2-methyl-3-(methylamino)propyl]amino]benzenesulfonamide?
The InChIKey is GMMSPLMJCJHZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-10(8-13-2)9-15-11-6-4-5-7-12(11)18(16,17)14-3/h4-7,10,13-15H,8-9H2,1-3H3.
What are the key properties of N-methyl-2-[[2-methyl-3-(methylamino)propyl]amino]benzenesulfonamide?
N-methyl-2-[[2-methyl-3-(methylamino)propyl]amino]benzenesulfonamide has a molecular weight of 271.39 g/mol, XLogP of 0.86, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[2-methyl-3-(methylamino)propyl]amino]benzenesulfonamide is sourced from PubChem (CID 113282668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).