4-amino-3-[(2-hydroxy-2-methylpropyl)amino]-N,N-dimethylbenzenesulfonamide

C12H21N3O3S — CID 82900510

IUPAC4-amino-3-[(2-hydroxy-2-methylpropyl)amino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(N)c(NCC(C)(C)O)c1
InChIInChI=1S/C12H21N3O3S/c1-12(2,16)8-14-11-7-9(5-6-10(11)13)19(17,18)15(3)4/h5-7,14,16H,8,13H2,1-4H3
InChIKeySOADWHPJOFBDIW-UHFFFAOYSA-N
MW287.39 g/mol
LogP0.70
Rot. Bonds5

About 4-amino-3-[(2-hydroxy-2-methylpropyl)amino]-N,N-dimethylbenzenesulfonamide

4-amino-3-[(2-hydroxy-2-methylpropyl)amino]-N,N-dimethylbenzenesulfonamide (PubChem CID 82900510) has the molecular formula C12H21N3O3S and a molecular weight of 287.39 g/mol. Its IUPAC name is 4-amino-3-[(2-hydroxy-2-methylpropyl)amino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-[(2-hydroxy-2-methylpropyl)amino]-N,N-dimethylbenzenesulfonamide
PubChem CID82900510
Molecular FormulaC12H21N3O3S
Molecular Weight287.39 g/mol
Exact Mass287.13
IUPAC Name4-amino-3-[(2-hydroxy-2-methylpropyl)amino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(N)c(NCC(C)(C)O)c1
InChIInChI=1S/C12H21N3O3S/c1-12(2,16)8-14-11-7-9(5-6-10(11)13)19(17,18)15(3)4/h5-7,14,16H,8,13H2,1-4H3
InChIKeySOADWHPJOFBDIW-UHFFFAOYSA-N
XLogP0.70
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-amino-3-[(2-hydroxy-2-methylpropyl)amino]-N,N-dimethylbenzenesulfonamide 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

4-amino-3-(2-hydroxyethylamino)-N,N-dimethylbenzenesulfonamide
CID 82899068
4-amino-3-[2-(methanesulfonamido)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 82899992
4-amino-N,N-dimethyl-3-(pentylamino)benzenesulfonamide
CID 82899819
4-amino-3-(3-ethylpentan-3-ylamino)-N,N-dimethylbenzenesulfonamide
CID 82902002
4-amino-3-[2-(diethylamino)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 82900124
3-amino-4-[(3-hydroxy-2,2-dimethylpropyl)amino]-N,N-dimethylbenzenesulfonamide
CID 115358157
4-amino-3-(3-methoxypropylamino)-N,N-dimethylbenzenesulfonamide
CID 82898353
3-[2-amino-4-(dimethylsulfamoyl)anilino]-2,2-dimethylpropanamide
CID 106275246
4-amino-3-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylbenzenesulfonamide
CID 82902467
4-amino-N,N-dimethyl-3-(3-propoxypropylamino)benzenesulfonamide
CID 82942122
4-amino-N,N-dimethyl-3-(1,2-oxazol-3-ylmethylamino)benzenesulfonamide
CID 82900882
1-(2-amino-5-fluoroanilino)-2-methylpropan-2-ol
CID 65103407

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[(2-hydroxy-2-methylpropyl)amino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-amino-3-[(2-hydroxy-2-methylpropyl)amino]-N,N-dimethylbenzenesulfonamide (CID 82900510) is 4-amino-3-[(2-hydroxy-2-methylpropyl)amino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-amino-3-[(2-hydroxy-2-methylpropyl)amino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-amino-3-[(2-hydroxy-2-methylpropyl)amino]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(N)c(NCC(C)(C)O)c1.
What is the InChIKey of 4-amino-3-[(2-hydroxy-2-methylpropyl)amino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is SOADWHPJOFBDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-12(2,16)8-14-11-7-9(5-6-10(11)13)19(17,18)15(3)4/h5-7,14,16H,8,13H2,1-4H3.
What are the key properties of 4-amino-3-[(2-hydroxy-2-methylpropyl)amino]-N,N-dimethylbenzenesulfonamide?
4-amino-3-[(2-hydroxy-2-methylpropyl)amino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 287.39 g/mol, XLogP of 0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[(2-hydroxy-2-methylpropyl)amino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 82900510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).