2-amino-3-[[2-(dimethylamino)-2-methylpropyl]amino]benzenesulfonamide

C12H22N4O2S — CID 112674811

IUPAC2-amino-3-[[2-(dimethylamino)-2-methylpropyl]amino]benzenesulfonamide
SMILESCN(C)C(C)(C)CNc1cccc(S(N)(=O)=O)c1N
InChIInChI=1S/C12H22N4O2S/c1-12(2,16(3)4)8-15-9-6-5-7-10(11(9)13)19(14,17)18/h5-7,15H,8,13H2,1-4H3,(H2,14,17,18)
InChIKeyQKKCITIGYNDBAD-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.67
Rot. Bonds5

About 2-amino-3-[[2-(dimethylamino)-2-methylpropyl]amino]benzenesulfonamide

2-amino-3-[[2-(dimethylamino)-2-methylpropyl]amino]benzenesulfonamide (PubChem CID 112674811) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-amino-3-[[2-(dimethylamino)-2-methylpropyl]amino]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-[[2-(dimethylamino)-2-methylpropyl]amino]benzenesulfonamide
PubChem CID112674811
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name2-amino-3-[[2-(dimethylamino)-2-methylpropyl]amino]benzenesulfonamide
SMILESCN(C)C(C)(C)CNc1cccc(S(N)(=O)=O)c1N
InChIInChI=1S/C12H22N4O2S/c1-12(2,16(3)4)8-15-9-6-5-7-10(11(9)13)19(14,17)18/h5-7,15H,8,13H2,1-4H3,(H2,14,17,18)
InChIKeyQKKCITIGYNDBAD-UHFFFAOYSA-N
XLogP0.67
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]benzenesulfonamide
CID 115992256
2-amino-3-[[2-(dimethylamino)-2-methylpropyl]amino]benzonitrile
CID 113444731
2-amino-3-(tert-butylamino)benzenesulfonamide
CID 112674632
2-amino-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]benzenesulfonamide
CID 115992879
2-amino-3-[3-[methyl(propan-2-yl)amino]propylamino]benzenesulfonamide
CID 106036483
2-amino-3-[(3-methyl-2-propan-2-ylbutyl)amino]benzenesulfonamide
CID 102903616
2-amino-3-(2-methylsulfanylethylamino)benzenesulfonamide
CID 112674920
2-amino-3-(2,3-dimethylbutylamino)benzenesulfonamide
CID 112674946
2-(2-amino-3-sulfamoylanilino)-N-methylacetamide
CID 112674675
2-amino-3-[(2-ethylphenyl)methylamino]benzenesulfonamide
CID 115992788
2-amino-3-[2-[cyclopentyl(methyl)amino]ethylamino]benzenesulfonamide
CID 115992729
2-amino-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]benzenesulfonamide
CID 115992668

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[[2-(dimethylamino)-2-methylpropyl]amino]benzenesulfonamide?
The IUPAC name of 2-amino-3-[[2-(dimethylamino)-2-methylpropyl]amino]benzenesulfonamide (CID 112674811) is 2-amino-3-[[2-(dimethylamino)-2-methylpropyl]amino]benzenesulfonamide.
What is the SMILES notation for 2-amino-3-[[2-(dimethylamino)-2-methylpropyl]amino]benzenesulfonamide?
The canonical SMILES for 2-amino-3-[[2-(dimethylamino)-2-methylpropyl]amino]benzenesulfonamide is CN(C)C(C)(C)CNc1cccc(S(N)(=O)=O)c1N.
What is the InChIKey of 2-amino-3-[[2-(dimethylamino)-2-methylpropyl]amino]benzenesulfonamide?
The InChIKey is QKKCITIGYNDBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-12(2,16(3)4)8-15-9-6-5-7-10(11(9)13)19(14,17)18/h5-7,15H,8,13H2,1-4H3,(H2,14,17,18).
What are the key properties of 2-amino-3-[[2-(dimethylamino)-2-methylpropyl]amino]benzenesulfonamide?
2-amino-3-[[2-(dimethylamino)-2-methylpropyl]amino]benzenesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 0.67, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[[2-(dimethylamino)-2-methylpropyl]amino]benzenesulfonamide is sourced from PubChem (CID 112674811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).