3-amino-2,6-dimethyl-N-propan-2-ylbenzenesulfonamide

C11H18N2O2S — CID 43256917

IUPAC3-amino-2,6-dimethyl-N-propan-2-ylbenzenesulfonamide
SMILESCc1ccc(N)c(C)c1S(=O)(=O)NC(C)C
InChIInChI=1S/C11H18N2O2S/c1-7(2)13-16(14,15)11-8(3)5-6-10(12)9(11)4/h5-7,13H,12H2,1-4H3
InChIKeyLNGYTWJUJCIRGR-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.57
Rot. Bonds3

About 3-amino-2,6-dimethyl-N-propan-2-ylbenzenesulfonamide

3-amino-2,6-dimethyl-N-propan-2-ylbenzenesulfonamide (PubChem CID 43256917) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 3-amino-2,6-dimethyl-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-2,6-dimethyl-N-propan-2-ylbenzenesulfonamide
PubChem CID43256917
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name3-amino-2,6-dimethyl-N-propan-2-ylbenzenesulfonamide
SMILESCc1ccc(N)c(C)c1S(=O)(=O)NC(C)C
InChIInChI=1S/C11H18N2O2S/c1-7(2)13-16(14,15)11-8(3)5-6-10(12)9(11)4/h5-7,13H,12H2,1-4H3
InChIKeyLNGYTWJUJCIRGR-UHFFFAOYSA-N
XLogP1.57
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-2,6-dimethyl-N-propan-2-ylbenzenesulfonamide 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-N-[(2S)-1-hydroxypropan-2-yl]-2,6-dimethylbenzenesulfonamide
CID 93081295
3-amino-2,6-dimethyl-N-(1-methylsulfonylpropan-2-yl)benzenesulfonamide
CID 64630177
3-amino-N-[1-(furan-2-yl)ethyl]-2,6-dimethylbenzenesulfonamide
CID 43535569
3-amino-2,6-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104758445
3-amino-N-(3,5-dimethylphenyl)-2,6-dimethylbenzenesulfonamide
CID 43257720
6-amino-2,3-dimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 43258845
3-amino-N-cyclopropyl-2,6-dimethylbenzenesulfonamide
CID 43256969
3-amino-2,6-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 63982653
3-amino-N,2,6-trimethyl-N-propan-2-ylbenzenesulfonamide
CID 43257149
2,3,5,6-tetramethyl-N-propan-2-ylbenzenesulfonamide
CID 6463266
3-amino-N-(2,6-dibromophenyl)-2,6-dimethylbenzenesulfonamide
CID 107596340
3-amino-N-[3-(methanesulfonamido)propyl]-2,6-dimethylbenzenesulfonamide
CID 106333253

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,6-dimethyl-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 3-amino-2,6-dimethyl-N-propan-2-ylbenzenesulfonamide (CID 43256917) is 3-amino-2,6-dimethyl-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 3-amino-2,6-dimethyl-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 3-amino-2,6-dimethyl-N-propan-2-ylbenzenesulfonamide is Cc1ccc(N)c(C)c1S(=O)(=O)NC(C)C.
What is the InChIKey of 3-amino-2,6-dimethyl-N-propan-2-ylbenzenesulfonamide?
The InChIKey is LNGYTWJUJCIRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-7(2)13-16(14,15)11-8(3)5-6-10(12)9(11)4/h5-7,13H,12H2,1-4H3.
What are the key properties of 3-amino-2,6-dimethyl-N-propan-2-ylbenzenesulfonamide?
3-amino-2,6-dimethyl-N-propan-2-ylbenzenesulfonamide has a molecular weight of 242.34 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,6-dimethyl-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 43256917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).