2-amino-3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]benzenesulfonamide

C13H24N4O2S — CID 115992256

IUPAC2-amino-3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]benzenesulfonamide
SMILESCN(C)CC(C)(C)CNc1cccc(S(N)(=O)=O)c1N
InChIInChI=1S/C13H24N4O2S/c1-13(2,9-17(3)4)8-16-10-6-5-7-11(12(10)14)20(15,18)19/h5-7,16H,8-9,14H2,1-4H3,(H2,15,18,19)
InChIKeyPIJGOMFMMOXHFW-UHFFFAOYSA-N
MW300.43 g/mol
LogP0.92
Rot. Bonds6

About 2-amino-3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]benzenesulfonamide

2-amino-3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]benzenesulfonamide (PubChem CID 115992256) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 2-amino-3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]benzenesulfonamide
PubChem CID115992256
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name2-amino-3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]benzenesulfonamide
SMILESCN(C)CC(C)(C)CNc1cccc(S(N)(=O)=O)c1N
InChIInChI=1S/C13H24N4O2S/c1-13(2,9-17(3)4)8-16-10-6-5-7-11(12(10)14)20(15,18)19/h5-7,16H,8-9,14H2,1-4H3,(H2,15,18,19)
InChIKeyPIJGOMFMMOXHFW-UHFFFAOYSA-N
XLogP0.92
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 50.92
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-[[2-(dimethylamino)-2-methylpropyl]amino]benzenesulfonamide
CID 112674811
2-amino-3-(tert-butylamino)benzenesulfonamide
CID 112674632
2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-ethylbenzenesulfonamide
CID 43454391
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-[2-[2-methoxyethyl(methyl)amino]ethylamino]benzenesulfonamide
CID 115992668
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
N,N,2,2-tetramethyl-N'-(3-methyl-2-nitrophenyl)propane-1,3-diamine
CID 102604986
2-[(3-hydroxy-2,2-dimethylpropyl)amino]benzenesulfonamide
CID 115360899
2-(2-amino-3-sulfamoylanilino)-N-methylacetamide
CID 112674675

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]benzenesulfonamide?
The IUPAC name of 2-amino-3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]benzenesulfonamide (CID 115992256) is 2-amino-3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]benzenesulfonamide.
What is the SMILES notation for 2-amino-3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]benzenesulfonamide?
The canonical SMILES for 2-amino-3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]benzenesulfonamide is CN(C)CC(C)(C)CNc1cccc(S(N)(=O)=O)c1N.
What is the InChIKey of 2-amino-3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]benzenesulfonamide?
The InChIKey is PIJGOMFMMOXHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-13(2,9-17(3)4)8-16-10-6-5-7-11(12(10)14)20(15,18)19/h5-7,16H,8-9,14H2,1-4H3,(H2,15,18,19).
What are the key properties of 2-amino-3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]benzenesulfonamide?
2-amino-3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]benzenesulfonamide has a molecular weight of 300.43 g/mol, XLogP of 0.92, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]benzenesulfonamide is sourced from PubChem (CID 115992256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).