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

C10H16N2O3S2 — CID 113479654

IUPAC4-amino-2-methyl-N-(2-methylsulfinylethyl)benzenesulfonamide
SMILESCc1cc(N)ccc1S(=O)(=O)NCCS(C)=O
InChIInChI=1S/C10H16N2O3S2/c1-8-7-9(11)3-4-10(8)17(14,15)12-5-6-16(2)13/h3-4,7,12H,5-6,11H2,1-2H3
InChIKeyGFYRZKVIJQTKQW-UHFFFAOYSA-N
MW276.38 g/mol
LogP0.23
Rot. Bonds5

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

4-amino-2-methyl-N-(2-methylsulfinylethyl)benzenesulfonamide (PubChem CID 113479654) has the molecular formula C10H16N2O3S2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-amino-2-methyl-N-(2-methylsulfinylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-methyl-N-(2-methylsulfinylethyl)benzenesulfonamide
PubChem CID113479654
Molecular FormulaC10H16N2O3S2
Molecular Weight276.38 g/mol
Exact Mass276.06
IUPAC Name4-amino-2-methyl-N-(2-methylsulfinylethyl)benzenesulfonamide
SMILESCc1cc(N)ccc1S(=O)(=O)NCCS(C)=O
InChIInChI=1S/C10H16N2O3S2/c1-8-7-9(11)3-4-10(8)17(14,15)12-5-6-16(2)13/h3-4,7,12H,5-6,11H2,1-2H3
InChIKeyGFYRZKVIJQTKQW-UHFFFAOYSA-N
XLogP0.23
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.23
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-methylsulfinylethyl)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-bromo-N-(2-methylsulfinylethyl)benzenesulfonamide
CID 113479659
2-methyl-N-(2-methylsulfinylethyl)benzenesulfonamide
CID 115671966
4-amino-2-(3-methylsulfinylpropylsulfamoyl)benzoic acid
CID 102931661
2-[2-[(4-amino-2-methylphenyl)sulfonylamino]ethoxy]acetamide
CID 106233837
methyl 2-[(4-amino-2-methylphenyl)sulfonylamino]acetate
CID 43257168
4-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylbenzenesulfonamide
CID 107229581
4-bromo-2-fluoro-N-(2-methylsulfinylethyl)benzenesulfonamide
CID 116528850
4-amino-2-methyl-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 61127442
5-amino-2-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 54936764
4-amino-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
CID 63332267
4-amino-2-methyl-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 63982011
N-[2-[(R)-methylsulfinyl]ethyl]naphthalene-1-sulfonamide
CID 97001306

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-N-(2-methylsulfinylethyl)benzenesulfonamide?
The IUPAC name of 4-amino-2-methyl-N-(2-methylsulfinylethyl)benzenesulfonamide (CID 113479654) is 4-amino-2-methyl-N-(2-methylsulfinylethyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-methyl-N-(2-methylsulfinylethyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-methyl-N-(2-methylsulfinylethyl)benzenesulfonamide is Cc1cc(N)ccc1S(=O)(=O)NCCS(C)=O.
What is the InChIKey of 4-amino-2-methyl-N-(2-methylsulfinylethyl)benzenesulfonamide?
The InChIKey is GFYRZKVIJQTKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S2/c1-8-7-9(11)3-4-10(8)17(14,15)12-5-6-16(2)13/h3-4,7,12H,5-6,11H2,1-2H3.
What are the key properties of 4-amino-2-methyl-N-(2-methylsulfinylethyl)benzenesulfonamide?
4-amino-2-methyl-N-(2-methylsulfinylethyl)benzenesulfonamide has a molecular weight of 276.38 g/mol, XLogP of 0.23, 5 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-methylsulfinylethyl)benzenesulfonamide is sourced from PubChem (CID 113479654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).