N-(2-amino-6-methylphenyl)-3,3-dimethylbutane-1-sulfonamide

C13H22N2O2S — CID 103520816

IUPACN-(2-amino-6-methylphenyl)-3,3-dimethylbutane-1-sulfonamide
SMILESCc1cccc(N)c1NS(=O)(=O)CCC(C)(C)C
InChIInChI=1S/C13H22N2O2S/c1-10-6-5-7-11(14)12(10)15-18(16,17)9-8-13(2,3)4/h5-7,15H,8-9,14H2,1-4H3
InChIKeyIJFQRQHZRLGIJF-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.76
Rot. Bonds4

About N-(2-amino-6-methylphenyl)-3,3-dimethylbutane-1-sulfonamide

N-(2-amino-6-methylphenyl)-3,3-dimethylbutane-1-sulfonamide (PubChem CID 103520816) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-(2-amino-6-methylphenyl)-3,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-6-methylphenyl)-3,3-dimethylbutane-1-sulfonamide
PubChem CID103520816
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-(2-amino-6-methylphenyl)-3,3-dimethylbutane-1-sulfonamide
SMILESCc1cccc(N)c1NS(=O)(=O)CCC(C)(C)C
InChIInChI=1S/C13H22N2O2S/c1-10-6-5-7-11(14)12(10)15-18(16,17)9-8-13(2,3)4/h5-7,15H,8-9,14H2,1-4H3
InChIKeyIJFQRQHZRLGIJF-UHFFFAOYSA-N
XLogP2.76
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-amino-6-methylphenyl)-3,3-dimethylbutane-1-sulfonamide 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

N-(4-amino-2,5-dimethylphenyl)-3,3-dimethylbutane-1-sulfonamide
CID 103520904
1-amino-2-(diethylsulfamoylamino)-3-methylbenzene
CID 43152352
N-(2-amino-6-methylphenyl)-2-fluorobenzenesulfonamide
CID 43330093
3-methyl-2-N-(propan-2-ylsulfamoyl)benzene-1,2-diamine
CID 114804309
3-methyl-2-N-(2,4,4-trimethylpentan-2-yl)benzene-1,2-diamine
CID 115550347
N-(2-hydroxy-6-nitrophenyl)-3,3-dimethylbutane-1-sulfonamide
CID 107681575
3-(3,3-dimethylbutylsulfonylamino)benzenesulfonamide
CID 103727879
2-N-tert-butyl-3-methylbenzene-1,2-diamine
CID 70363393
3,3-dimethyl-N-[3-(methylaminomethyl)phenyl]butane-1-sulfonamide
CID 103521428
N-(2-amino-6-methylphenyl)cyclohexanesulfonamide
CID 61065471
N-(2-amino-4,5-dimethoxyphenyl)-3,3-dimethylbutane-1-sulfonamide
CID 103520845
N-(6-fluoro-2-pyridinyl)-3,3-dimethylbutane-1-sulfonamide
CID 103522016

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-methylphenyl)-3,3-dimethylbutane-1-sulfonamide?
The IUPAC name of N-(2-amino-6-methylphenyl)-3,3-dimethylbutane-1-sulfonamide (CID 103520816) is N-(2-amino-6-methylphenyl)-3,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for N-(2-amino-6-methylphenyl)-3,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for N-(2-amino-6-methylphenyl)-3,3-dimethylbutane-1-sulfonamide is Cc1cccc(N)c1NS(=O)(=O)CCC(C)(C)C.
What is the InChIKey of N-(2-amino-6-methylphenyl)-3,3-dimethylbutane-1-sulfonamide?
The InChIKey is IJFQRQHZRLGIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-10-6-5-7-11(14)12(10)15-18(16,17)9-8-13(2,3)4/h5-7,15H,8-9,14H2,1-4H3.
What are the key properties of N-(2-amino-6-methylphenyl)-3,3-dimethylbutane-1-sulfonamide?
N-(2-amino-6-methylphenyl)-3,3-dimethylbutane-1-sulfonamide has a molecular weight of 270.40 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-methylphenyl)-3,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 103520816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).