2-[(4-amino-2-methylbutyl)amino]-N-methylbenzenesulfonamide

C12H21N3O2S — CID 66106821

IUPAC2-[(4-amino-2-methylbutyl)amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1NCC(C)CCN
InChIInChI=1S/C12H21N3O2S/c1-10(7-8-13)9-15-11-5-3-4-6-12(11)18(16,17)14-2/h3-6,10,14-15H,7-9,13H2,1-2H3
InChIKeyPGSCKGGUCVLRII-UHFFFAOYSA-N
MW271.39 g/mol
LogP0.99
Rot. Bonds7

About 2-[(4-amino-2-methylbutyl)amino]-N-methylbenzenesulfonamide

2-[(4-amino-2-methylbutyl)amino]-N-methylbenzenesulfonamide (PubChem CID 66106821) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 2-[(4-amino-2-methylbutyl)amino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-[(4-amino-2-methylbutyl)amino]-N-methylbenzenesulfonamide
PubChem CID66106821
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name2-[(4-amino-2-methylbutyl)amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1NCC(C)CCN
InChIInChI=1S/C12H21N3O2S/c1-10(7-8-13)9-15-11-5-3-4-6-12(11)18(16,17)14-2/h3-6,10,14-15H,7-9,13H2,1-2H3
InChIKeyPGSCKGGUCVLRII-UHFFFAOYSA-N
XLogP0.99
TPSA84.22 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 ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[[2-methyl-3-(methylamino)propyl]amino]benzenesulfonamide
CID 113282668
2-[[2-(aminomethyl)-3-methylbutyl]amino]-N-methylbenzenesulfonamide
CID 107441821
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-(6-aminohexylamino)-N-methylbenzenesulfonamide
CID 107845260
2-[[2-(methylsulfamoyl)anilino]methyl]butanoic acid
CID 65226875
2-[(3-ethyl-2-hydroxypentyl)amino]-N-methylbenzenesulfonamide
CID 106287402
N-methyl-2-(3-methylpentan-2-ylamino)benzenesulfonamide
CID 43749839
2-(2-methylbutylamino)benzenesulfonamide
CID 62692672
N-(4-amino-2-methylbutyl)benzenesulfonamide
CID 66091403

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-2-methylbutyl)amino]-N-methylbenzenesulfonamide?
The IUPAC name of 2-[(4-amino-2-methylbutyl)amino]-N-methylbenzenesulfonamide (CID 66106821) is 2-[(4-amino-2-methylbutyl)amino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-[(4-amino-2-methylbutyl)amino]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-[(4-amino-2-methylbutyl)amino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccccc1NCC(C)CCN.
What is the InChIKey of 2-[(4-amino-2-methylbutyl)amino]-N-methylbenzenesulfonamide?
The InChIKey is PGSCKGGUCVLRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-10(7-8-13)9-15-11-5-3-4-6-12(11)18(16,17)14-2/h3-6,10,14-15H,7-9,13H2,1-2H3.
What are the key properties of 2-[(4-amino-2-methylbutyl)amino]-N-methylbenzenesulfonamide?
2-[(4-amino-2-methylbutyl)amino]-N-methylbenzenesulfonamide has a molecular weight of 271.39 g/mol, XLogP of 0.99, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-2-methylbutyl)amino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 66106821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).