4-amino-N,2-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide

C11H18N2O2S2 — CID 112656554

IUPAC4-amino-N,2-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide
SMILESCSCCN(C)S(=O)(=O)c1ccc(N)cc1C
InChIInChI=1S/C11H18N2O2S2/c1-9-8-10(12)4-5-11(9)17(14,15)13(2)6-7-16-3/h4-5,8H,6-7,12H2,1-3H3
InChIKeyRJLYAPPKDOXFEG-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.56
Rot. Bonds5

About 4-amino-N,2-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide

4-amino-N,2-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide (PubChem CID 112656554) has the molecular formula C11H18N2O2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-amino-N,2-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N,2-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide
PubChem CID112656554
Molecular FormulaC11H18N2O2S2
Molecular Weight274.41 g/mol
Exact Mass274.08
IUPAC Name4-amino-N,2-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide
SMILESCSCCN(C)S(=O)(=O)c1ccc(N)cc1C
InChIInChI=1S/C11H18N2O2S2/c1-9-8-10(12)4-5-11(9)17(14,15)13(2)6-7-16-3/h4-5,8H,6-7,12H2,1-3H3
InChIKeyRJLYAPPKDOXFEG-UHFFFAOYSA-N
XLogP1.56
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(2-hydroxyethyl)-N,2-dimethylbenzenesulfonamide
CID 43258909
4-amino-2-cyano-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112656535
4-amino-N-butyl-N,2-dimethylbenzenesulfonamide
CID 43258018
4-amino-2-[methyl(2-methylsulfanylethyl)sulfamoyl]benzoic acid
CID 102931570
4-amino-N-(2-ethoxyethyl)-N,2-dimethylbenzenesulfonamide
CID 81053199
4-amino-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81053045
3-amino-N,4-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112656600
4-(aminomethyl)-2-bromo-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112667211
2-[(4-amino-2-methylphenyl)sulfonyl-methylamino]-N-methylacetamide
CID 43374780
3-amino-N,2,6-trimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112656524
2,4-dimethyl-5-[methyl(2-methylsulfanylethyl)sulfamoyl]benzoic acid
CID 115985507
5-amino-2,4-difluoro-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112656575

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,2-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide?
The IUPAC name of 4-amino-N,2-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide (CID 112656554) is 4-amino-N,2-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N,2-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide?
The canonical SMILES for 4-amino-N,2-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide is CSCCN(C)S(=O)(=O)c1ccc(N)cc1C.
What is the InChIKey of 4-amino-N,2-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide?
The InChIKey is RJLYAPPKDOXFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S2/c1-9-8-10(12)4-5-11(9)17(14,15)13(2)6-7-16-3/h4-5,8H,6-7,12H2,1-3H3.
What are the key properties of 4-amino-N,2-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide?
4-amino-N,2-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide has a molecular weight of 274.41 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,2-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide is sourced from PubChem (CID 112656554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).