3-amino-N-(2-methylsulfanylethyl)benzenesulfonamide

C9H14N2O2S2 — CID 63983724

IUPAC3-amino-N-(2-methylsulfanylethyl)benzenesulfonamide
SMILESCSCCNS(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C9H14N2O2S2/c1-14-6-5-11-15(12,13)9-4-2-3-8(10)7-9/h2-4,7,11H,5-6,10H2,1H3
InChIKeyGEGZTSLQZUTABH-UHFFFAOYSA-N
MW246.36 g/mol
LogP0.91
Rot. Bonds5

About 3-amino-N-(2-methylsulfanylethyl)benzenesulfonamide

3-amino-N-(2-methylsulfanylethyl)benzenesulfonamide (PubChem CID 63983724) has the molecular formula C9H14N2O2S2 and a molecular weight of 246.36 g/mol. Its IUPAC name is 3-amino-N-(2-methylsulfanylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-methylsulfanylethyl)benzenesulfonamide
PubChem CID63983724
Molecular FormulaC9H14N2O2S2
Molecular Weight246.36 g/mol
Exact Mass246.05
IUPAC Name3-amino-N-(2-methylsulfanylethyl)benzenesulfonamide
SMILESCSCCNS(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C9H14N2O2S2/c1-14-6-5-11-15(12,13)9-4-2-3-8(10)7-9/h2-4,7,11H,5-6,10H2,1H3
InChIKeyGEGZTSLQZUTABH-UHFFFAOYSA-N
XLogP0.91
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 50.91
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 3-amino-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

1-(3-aminophenyl)-N-(2-methylsulfanylethyl)methanesulfonamide
CID 63983289
2-[(3-aminophenyl)sulfonylamino]ethylurea
CID 83116064
3-amino-N-(3-cyclopropylpropyl)benzenesulfonamide
CID 113498451
3-hydroxy-N-(5-methylsulfanylpentyl)benzenesulfonamide
CID 114128483
methyl 3-[(3-aminophenyl)sulfonylamino]propanoate
CID 43665916
3-(aminomethyl)-N-(5-methylsulfanylpentyl)benzenesulfonamide
CID 106093703
2-[(3-aminophenyl)sulfonylamino]ethyl carbamate
CID 83202632
4-[(3-aminophenyl)sulfonylamino]-2,2-dimethylbutanoic acid
CID 122126369
6-amino-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide
CID 63963985
3-amino-5-fluoro-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 63982222
3-(methylaminomethyl)-N-(4-methylsulfanylbutyl)benzenesulfonamide
CID 106077992
3-acetyl-N-(4-methylsulfanylbutyl)benzenesulfonamide
CID 115638737

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methylsulfanylethyl)benzenesulfonamide?
The IUPAC name of 3-amino-N-(2-methylsulfanylethyl)benzenesulfonamide (CID 63983724) is 3-amino-N-(2-methylsulfanylethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-N-(2-methylsulfanylethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-N-(2-methylsulfanylethyl)benzenesulfonamide is CSCCNS(=O)(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N-(2-methylsulfanylethyl)benzenesulfonamide?
The InChIKey is GEGZTSLQZUTABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S2/c1-14-6-5-11-15(12,13)9-4-2-3-8(10)7-9/h2-4,7,11H,5-6,10H2,1H3.
What are the key properties of 3-amino-N-(2-methylsulfanylethyl)benzenesulfonamide?
3-amino-N-(2-methylsulfanylethyl)benzenesulfonamide has a molecular weight of 246.36 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methylsulfanylethyl)benzenesulfonamide is sourced from PubChem (CID 63983724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).