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

C10H15NO2S2 — CID 14069626

IUPAC4-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
SMILESCSCCNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C10H15NO2S2/c1-9-3-5-10(6-4-9)15(12,13)11-7-8-14-2/h3-6,11H,7-8H2,1-2H3
InChIKeyFZRGXUGXVCCWDY-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.64
Rot. Bonds5

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

4-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide (PubChem CID 14069626) has the molecular formula C10H15NO2S2 and a molecular weight of 245.37 g/mol. Its IUPAC name is 4-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
PubChem CID14069626
Molecular FormulaC10H15NO2S2
Molecular Weight245.37 g/mol
Exact Mass245.05
IUPAC Name4-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
SMILESCSCCNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C10H15NO2S2/c1-9-3-5-10(6-4-9)15(12,13)11-7-8-14-2/h3-6,11H,7-8H2,1-2H3
InChIKeyFZRGXUGXVCCWDY-UHFFFAOYSA-N
XLogP1.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
CID 12715316
4-(1-aminoethyl)-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 63959615
4-methyl-N-[3-[2-[3-[(4-methylphenyl)sulfonylamino]propylamino]ethylamino]propyl]benzenesulfonamide
CID 10917846
4-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 12673073
N-(4-fluorobutyl)-4-methylbenzenesulfonamide
CID 10933762
4-ethylsulfonyl-N-[2-(4-methylphenyl)sulfanylethyl]benzenesulfonamide
CID 55904601
N-(2-aminoethyl)-4-methylbenzenesulfonamide;hydrochloride
CID 42943458
4-methyl-N-[6-[(4-methylphenyl)sulfonylamino]hex-3-ynyl]benzenesulfonamide
CID 100943896
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 31836630
N-(4-aminobutyl)-4-methylbenzenesulfonamide;hydrochloride
CID 120583806
6-amino-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide
CID 63963985
N-(2-methylsulfanylethyl)-4-[2-(propylamino)ethyl]benzenesulfonamide
CID 106063705

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide (CID 14069626) is 4-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide is CSCCNS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide?
The InChIKey is FZRGXUGXVCCWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S2/c1-9-3-5-10(6-4-9)15(12,13)11-7-8-14-2/h3-6,11H,7-8H2,1-2H3.
What are the key properties of 4-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide?
4-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide has a molecular weight of 245.37 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide is sourced from PubChem (CID 14069626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).