2-amino-4-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide

C10H16N2O2S2 — CID 63981145

IUPAC2-amino-4-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
SMILESCSCCNS(=O)(=O)c1ccc(C)cc1N
InChIInChI=1S/C10H16N2O2S2/c1-8-3-4-10(9(11)7-8)16(13,14)12-5-6-15-2/h3-4,7,12H,5-6,11H2,1-2H3
InChIKeyWZAILDAIWULHMD-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.22
Rot. Bonds5

About 2-amino-4-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide

2-amino-4-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide (PubChem CID 63981145) has the molecular formula C10H16N2O2S2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-amino-4-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
PubChem CID63981145
Molecular FormulaC10H16N2O2S2
Molecular Weight260.38 g/mol
Exact Mass260.07
IUPAC Name2-amino-4-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
SMILESCSCCNS(=O)(=O)c1ccc(C)cc1N
InChIInChI=1S/C10H16N2O2S2/c1-8-3-4-10(9(11)7-8)16(13,14)12-5-6-15-2/h3-4,7,12H,5-6,11H2,1-2H3
InChIKeyWZAILDAIWULHMD-UHFFFAOYSA-N
XLogP1.22
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-4-methyl-N-(2-methylsulfanylethyl)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

2-amino-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 43258900
2-amino-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 63982430
2-amino-4-methyl-N-(3-phenylpropyl)benzenesulfonamide
CID 60905949
2-amino-N-(2-ethoxyethyl)-4-methylbenzenesulfonamide
CID 43590960
2-amino-N-[2-[ethyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide
CID 62636102
2-amino-4-methyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 61106774
2-amino-4-methyl-N-prop-2-ynylbenzenesulfonamide
CID 61111569
2-amino-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 61112895
4-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 14069626
3-[2-[(2-amino-4-methylphenyl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 83109055
2-amino-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzenesulfonamide
CID 62040457
2-amino-4-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
CID 61214867

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide?
The IUPAC name of 2-amino-4-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide (CID 63981145) is 2-amino-4-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide is CSCCNS(=O)(=O)c1ccc(C)cc1N.
What is the InChIKey of 2-amino-4-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide?
The InChIKey is WZAILDAIWULHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S2/c1-8-3-4-10(9(11)7-8)16(13,14)12-5-6-15-2/h3-4,7,12H,5-6,11H2,1-2H3.
What are the key properties of 2-amino-4-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide?
2-amino-4-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide has a molecular weight of 260.38 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide is sourced from PubChem (CID 63981145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).