N-Methyl-4-methanesulphonamidophenethylamine
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Basic information
- CAS
115256-16-1- Standard SMILES
CNCCc1ccc(NS(C)(=O)=O)cc1- InChIKey
MSZBIHITHNHHTL-UHFFFAOYSA-N- Molecular formula
- C10H16N2O2S
- Average molar mass
- 228.31 g/mol
- Monoisotopic mass
- 228.09324893
Names & identifiers
- Preferred name
- N-Methyl-4-methanesulphonamidophenethylamine
- IUPAC
- N-[4-[2-(methylamino)ethyl]phenyl]methanesulfonamide
- English name
- Dofetilide Impurity 5
- Molecular formula
- C10H16N2O2S
- Molecular weight
- 228.31
Names & synonyms
115256-16-1Dofetilide Impurity 6N-Methyl-4-methanesulphonamidophenethylamineN-[4-[2-(methylamino)ethyl]phenyl]methanesulfonamiden-{4-[2-(methylamino)ethyl]phenyl}methanesulfonamideN-(4-(2-(methylamino)ethyl)phenyl)methane sulfonamideN-(4-(2-(methylamino)ethyl)phenyl)methanesulfonamideSCHEMBL6581763MSZBIHITHNHHTL-UHFFFAOYSA-N2-(4-methylsulfonylaminophenyl) N-methylethylamineEN300-22903438N-(4-(2-(methylamino)ethyl)phenyl)methanesulfonamide, AldrichCPR
Show more names
Dofetilide Impurity 5Dofetilide Impurity 14Methanesulfonamide, N-[4-[2-(methylamino)ethyl]phenyl]-N-[2-(4-(methylsulfonylamino)-phenyl)ethyl]-N-methylamine
Database identifiers
- CAS
115256-16-1- PubChem CID
- 10036749
Properties
Computed structural propertiesFilling in
- XLogP
- 0.7
- Topological polar surface area
- 66.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 264
Physicochemical properties
- Boiling point
- 361.7 · 361.7±44.0 °C(Predicted)
- Density
- 1.214 · 1.214±0.06 g/cm3(Predicted)
- pka
- 8.61 · 8.61±0.10(Predicted)
Chemistry & industry
Applications
UsesN-[4-[2-(Methylamino)ethyl]phenyl]methanesulfonamide is the metabolite of the antidysrhythmic drug Dofetilide (D525700), which is a potassium channel blocker.
Related reactions
5 records
Compound notes
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