3-[2-amino-4-(dimethylsulfamoyl)anilino]-2,2-dimethylpropanamide

C13H22N4O3S — CID 106275246

IUPAC3-[2-amino-4-(dimethylsulfamoyl)anilino]-2,2-dimethylpropanamide
SMILESCN(C)S(=O)(=O)c1ccc(NCC(C)(C)C(N)=O)c(N)c1
InChIInChI=1S/C13H22N4O3S/c1-13(2,12(15)18)8-16-11-6-5-9(7-10(11)14)21(19,20)17(3)4/h5-7,16H,8,14H2,1-4H3,(H2,15,18)
InChIKeyXBFDBIFNHNVLFE-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.44
Rot. Bonds6

About 3-[2-amino-4-(dimethylsulfamoyl)anilino]-2,2-dimethylpropanamide

3-[2-amino-4-(dimethylsulfamoyl)anilino]-2,2-dimethylpropanamide (PubChem CID 106275246) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is 3-[2-amino-4-(dimethylsulfamoyl)anilino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[2-amino-4-(dimethylsulfamoyl)anilino]-2,2-dimethylpropanamide
PubChem CID106275246
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC Name3-[2-amino-4-(dimethylsulfamoyl)anilino]-2,2-dimethylpropanamide
SMILESCN(C)S(=O)(=O)c1ccc(NCC(C)(C)C(N)=O)c(N)c1
InChIInChI=1S/C13H22N4O3S/c1-13(2,12(15)18)8-16-11-6-5-9(7-10(11)14)21(19,20)17(3)4/h5-7,16H,8,14H2,1-4H3,(H2,15,18)
InChIKeyXBFDBIFNHNVLFE-UHFFFAOYSA-N
XLogP0.44
TPSA118.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[2-amino-4-(dimethylsulfamoyl)anilino]-2,2-dimethylpropanamide 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

3-amino-4-[(3-hydroxy-2,2-dimethylpropyl)amino]-N,N-dimethylbenzenesulfonamide
CID 115358157
3-amino-4-(2-aminoethylamino)-N,N-dimethylbenzenesulfonamide
CID 62483234
3-amino-4-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]benzoic acid
CID 114167694
4-amino-3-[(2-hydroxy-2-methylpropyl)amino]-N,N-dimethylbenzenesulfonamide
CID 82900510
2-[2-amino-4-(dimethylsulfamoyl)anilino]propanamide
CID 43545447
3-amino-4-(2-methoxyethylamino)-N,N-dimethylbenzenesulfonamide
CID 43162681
3-(2-amino-4-methylsulfonylanilino)-N,2,2-trimethylpropanamide
CID 106275284
4-amino-3-(2-hydroxyethylamino)-N,N-dimethylbenzenesulfonamide
CID 82899068
3-[(3-amino-4-chlorophenyl)sulfonylamino]-2,2-dimethylpropanamide
CID 106274921
3-(2-amino-4,5-dimethoxyanilino)-2,2-dimethylpropanamide
CID 106275255
3-amino-4-[(2-ethyl-2-hydroxybutyl)amino]benzenesulfonamide
CID 65102697
3-(2-amino-4-methylsulfonylanilino)-2-methylpropane-1,2-diol
CID 66170096

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-4-(dimethylsulfamoyl)anilino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[2-amino-4-(dimethylsulfamoyl)anilino]-2,2-dimethylpropanamide (CID 106275246) is 3-[2-amino-4-(dimethylsulfamoyl)anilino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[2-amino-4-(dimethylsulfamoyl)anilino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[2-amino-4-(dimethylsulfamoyl)anilino]-2,2-dimethylpropanamide is CN(C)S(=O)(=O)c1ccc(NCC(C)(C)C(N)=O)c(N)c1.
What is the InChIKey of 3-[2-amino-4-(dimethylsulfamoyl)anilino]-2,2-dimethylpropanamide?
The InChIKey is XBFDBIFNHNVLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-13(2,12(15)18)8-16-11-6-5-9(7-10(11)14)21(19,20)17(3)4/h5-7,16H,8,14H2,1-4H3,(H2,15,18).
What are the key properties of 3-[2-amino-4-(dimethylsulfamoyl)anilino]-2,2-dimethylpropanamide?
3-[2-amino-4-(dimethylsulfamoyl)anilino]-2,2-dimethylpropanamide has a molecular weight of 314.41 g/mol, XLogP of 0.44, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-4-(dimethylsulfamoyl)anilino]-2,2-dimethylpropanamide is sourced from PubChem (CID 106275246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).