3-[2-amino-3-(dimethylsulfamoyl)anilino]-3-methylbutanamide

C13H22N4O3S — CID 106095636

IUPAC3-[2-amino-3-(dimethylsulfamoyl)anilino]-3-methylbutanamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(C)(C)CC(N)=O)c1N
InChIInChI=1S/C13H22N4O3S/c1-13(2,8-11(14)18)16-9-6-5-7-10(12(9)15)21(19,20)17(3)4/h5-7,16H,8,15H2,1-4H3,(H2,14,18)
InChIKeyFPBZJLYUPBRHPF-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.58
Rot. Bonds6

About 3-[2-amino-3-(dimethylsulfamoyl)anilino]-3-methylbutanamide

3-[2-amino-3-(dimethylsulfamoyl)anilino]-3-methylbutanamide (PubChem CID 106095636) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is 3-[2-amino-3-(dimethylsulfamoyl)anilino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[2-amino-3-(dimethylsulfamoyl)anilino]-3-methylbutanamide
PubChem CID106095636
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC Name3-[2-amino-3-(dimethylsulfamoyl)anilino]-3-methylbutanamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(C)(C)CC(N)=O)c1N
InChIInChI=1S/C13H22N4O3S/c1-13(2,8-11(14)18)16-9-6-5-7-10(12(9)15)21(19,20)17(3)4/h5-7,16H,8,15H2,1-4H3,(H2,14,18)
InChIKeyFPBZJLYUPBRHPF-UHFFFAOYSA-N
XLogP0.58
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 ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[2-amino-3-(dimethylsulfamoyl)anilino]-3-methylbutanamide 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-(2-amino-3-methylsulfonylanilino)-3-methylbutanamide
CID 106095627
2-amino-3-(tert-butylamino)-N,N-dimethylbenzenesulfonamide
CID 107115613
2-[2-amino-3-(dimethylsulfamoyl)anilino]acetic acid
CID 107116230
2-[2-amino-3-(dimethylsulfamoyl)anilino]propanamide
CID 107115830
3-methyl-3-[2-(methylsulfamoyl)anilino]butanamide
CID 106097032
2-amino-3-[(2-ethyl-2-hydroxybutyl)amino]-N,N-dimethylbenzenesulfonamide
CID 107116413
2-amino-N,N-dimethyl-3-(3,3,3-trifluoropropylamino)benzenesulfonamide
CID 107116285
2-amino-N,N-dimethyl-3-(3-methylsulfonylpropylamino)benzenesulfonamide
CID 107116170
2-amino-3-[(1-hydroxycyclopentyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 107116415
2-amino-3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N,N-dimethylbenzenesulfonamide
CID 107116582
2-amino-3-(2-bromoanilino)-N,N-dimethylbenzenesulfonamide
CID 107115684
2-amino-N,N-dimethyl-3-(4-methylanilino)benzenesulfonamide
CID 107115709

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-3-(dimethylsulfamoyl)anilino]-3-methylbutanamide?
The IUPAC name of 3-[2-amino-3-(dimethylsulfamoyl)anilino]-3-methylbutanamide (CID 106095636) is 3-[2-amino-3-(dimethylsulfamoyl)anilino]-3-methylbutanamide.
What is the SMILES notation for 3-[2-amino-3-(dimethylsulfamoyl)anilino]-3-methylbutanamide?
The canonical SMILES for 3-[2-amino-3-(dimethylsulfamoyl)anilino]-3-methylbutanamide is CN(C)S(=O)(=O)c1cccc(NC(C)(C)CC(N)=O)c1N.
What is the InChIKey of 3-[2-amino-3-(dimethylsulfamoyl)anilino]-3-methylbutanamide?
The InChIKey is FPBZJLYUPBRHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-13(2,8-11(14)18)16-9-6-5-7-10(12(9)15)21(19,20)17(3)4/h5-7,16H,8,15H2,1-4H3,(H2,14,18).
What are the key properties of 3-[2-amino-3-(dimethylsulfamoyl)anilino]-3-methylbutanamide?
3-[2-amino-3-(dimethylsulfamoyl)anilino]-3-methylbutanamide has a molecular weight of 314.41 g/mol, XLogP of 0.58, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-3-(dimethylsulfamoyl)anilino]-3-methylbutanamide is sourced from PubChem (CID 106095636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).