4-amino-2-methyl-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide

C12H20N2O2S2 — CID 63982011

IUPAC4-amino-2-methyl-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
SMILESCSCC(C)CNS(=O)(=O)c1ccc(N)cc1C
InChIInChI=1S/C12H20N2O2S2/c1-9(8-17-3)7-14-18(15,16)12-5-4-11(13)6-10(12)2/h4-6,9,14H,7-8,13H2,1-3H3
InChIKeyHEHOSRWMCRMBLF-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.85
Rot. Bonds6

About 4-amino-2-methyl-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide

4-amino-2-methyl-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide (PubChem CID 63982011) has the molecular formula C12H20N2O2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is 4-amino-2-methyl-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-methyl-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
PubChem CID63982011
Molecular FormulaC12H20N2O2S2
Molecular Weight288.44 g/mol
Exact Mass288.10
IUPAC Name4-amino-2-methyl-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
SMILESCSCC(C)CNS(=O)(=O)c1ccc(N)cc1C
InChIInChI=1S/C12H20N2O2S2/c1-9(8-17-3)7-14-18(15,16)12-5-4-11(13)6-10(12)2/h4-6,9,14H,7-8,13H2,1-3H3
InChIKeyHEHOSRWMCRMBLF-UHFFFAOYSA-N
XLogP1.85
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-2-methyl-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide 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-2-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 63980942
4-amino-2-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 63981376
5-(aminomethyl)-2-methyl-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 106064853
3-amino-2,6-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 63982653
3-amino-4-[(2-methyl-3-methylsulfanylpropyl)sulfamoyl]benzamide
CID 81471363
N-(3-amino-2-methylpropyl)-2,4-dimethylbenzenesulfonamide
CID 62668350
2-hydroxy-4-methyl-5-[(2-methyl-3-methylsulfanylpropyl)sulfamoyl]benzoic acid
CID 63966404
methyl 3-amino-4-[(2-methyl-3-methylsulfanylpropyl)sulfamoyl]benzoate
CID 63983735
4-amino-2-bromo-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65036761
methyl 2-[(4-amino-2-methylphenyl)sulfonylamino]acetate
CID 43257168
4-amino-2-methyl-N-(2-methylsulfinylethyl)benzenesulfonamide
CID 113479654
5-(aminomethyl)-3-fluoro-2-methyl-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 106064732

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide?
The IUPAC name of 4-amino-2-methyl-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide (CID 63982011) is 4-amino-2-methyl-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-methyl-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-methyl-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide is CSCC(C)CNS(=O)(=O)c1ccc(N)cc1C.
What is the InChIKey of 4-amino-2-methyl-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide?
The InChIKey is HEHOSRWMCRMBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S2/c1-9(8-17-3)7-14-18(15,16)12-5-4-11(13)6-10(12)2/h4-6,9,14H,7-8,13H2,1-3H3.
What are the key properties of 4-amino-2-methyl-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide?
4-amino-2-methyl-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide has a molecular weight of 288.44 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide is sourced from PubChem (CID 63982011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).