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

C9H14N2O2S2 — CID 63982430

IUPAC2-amino-N-(2-methylsulfanylethyl)benzenesulfonamide
SMILESCSCCNS(=O)(=O)c1ccccc1N
InChIInChI=1S/C9H14N2O2S2/c1-14-7-6-11-15(12,13)9-5-3-2-4-8(9)10/h2-5,11H,6-7,10H2,1H3
InChIKeyRMMKVZKKSIQVJD-UHFFFAOYSA-N
MW246.36 g/mol
LogP0.91
Rot. Bonds5

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

2-amino-N-(2-methylsulfanylethyl)benzenesulfonamide (PubChem CID 63982430) has the molecular formula C9H14N2O2S2 and a molecular weight of 246.36 g/mol. Its IUPAC name is 2-amino-N-(2-methylsulfanylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2-methylsulfanylethyl)benzenesulfonamide
PubChem CID63982430
Molecular FormulaC9H14N2O2S2
Molecular Weight246.36 g/mol
Exact Mass246.05
IUPAC Name2-amino-N-(2-methylsulfanylethyl)benzenesulfonamide
SMILESCSCCNS(=O)(=O)c1ccccc1N
InChIInChI=1S/C9H14N2O2S2/c1-14-7-6-11-15(12,13)9-5-3-2-4-8(9)10/h2-5,11H,6-7,10H2,1H3
InChIKeyRMMKVZKKSIQVJD-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'}

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Related Compounds

2-amino-4-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 63981145
N-(2-methylsulfanylethyl)naphthalene-1-sulfonamide
CID 115684023
2-amino-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 16782691
2-amino-N-(3-hydroxybutyl)benzenesulfonamide
CID 64929991
2-(aminomethyl)-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 106066338
methyl 3-[(2-aminophenyl)sulfonylamino]propanoate
CID 43665938
2-amino-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 22722440
2-amino-N-(3-methylsulfanylpropyl)pyridine-3-sulfonamide
CID 63962498
2-amino-N-(2-methylpropyl)benzenesulfonamide
CID 16787736
2-amino-N-(3-hexoxypropyl)benzenesulfonamide
CID 58720589
3-amino-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 63983724
3-(2-methylsulfanylethylsulfamoyl)pyridine-2-carbothioamide
CID 106597383

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methylsulfanylethyl)benzenesulfonamide?
The IUPAC name of 2-amino-N-(2-methylsulfanylethyl)benzenesulfonamide (CID 63982430) is 2-amino-N-(2-methylsulfanylethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-N-(2-methylsulfanylethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-N-(2-methylsulfanylethyl)benzenesulfonamide is CSCCNS(=O)(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N-(2-methylsulfanylethyl)benzenesulfonamide?
The InChIKey is RMMKVZKKSIQVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S2/c1-14-7-6-11-15(12,13)9-5-3-2-4-8(9)10/h2-5,11H,6-7,10H2,1H3.
What are the key properties of 2-amino-N-(2-methylsulfanylethyl)benzenesulfonamide?
2-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 2-amino-N-(2-methylsulfanylethyl)benzenesulfonamide is sourced from PubChem (CID 63982430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).