1-(2,6-Dimethyl-4-morpholinyl)-2-[(4-methylphenyl)sulfonyl]ethanone
Basic information
- CAS
303152-64-9- Standard SMILES
Cc1ccc(S(=O)(=O)CC(=O)N2CC(C)OC(C)C2)cc1- InChIKey
MIUDPMAYZUGPJF-UHFFFAOYSA-N- Molecular formula
- C15H21NO4S
- Average molar mass
- 311.4 g/mol
- Monoisotopic mass
- 311.11912932
Names & identifiers
- Preferred name
- 1-(2,6-Dimethyl-4-morpholinyl)-2-[(4-methylphenyl)sulfonyl]ethanone
- IUPAC
- 1-(2,6-dimethylmorpholin-4-yl)-2-(4-methylphenyl)sulfonylethanone
- English name
- 1-(2,6-Dimethylmorpholino)-2-[(4-methylphenyl)sulfonyl]-1-ethanone
- Molecular formula
- C15H21NO4S
- Molecular weight
- 311.4
Names & synonyms
303152-64-91-(2,6-Dimethyl-4-morpholinyl)-2-[(4-methylphenyl)sulfonyl]ethanone1-(2,6-Dimethyl-4-morpholinyl)-2-((4-methylphenyl)sulfonyl)ethanoneRefChem:2229861-(2,6-dimethylmorpholino)-2-[(4-methylphenyl)sulfonyl]-1-ethanone1-(2,6-dimethylmorpholin-4-yl)-2-(4-methylbenzenesulfonyl)ethan-1-one1-(2,6-dimethylmorpholin-4-yl)-2-(4-methylphenyl)sulfonylethanoneOprea1_855760MLS001165817CHEMBL1728601DTXSID801162857HMS2994E22
Show more names
Ethanone, 1-(2,6-dimethyl-4-morpholinyl)-2-[(4-methylphenyl)sulfonyl]-
AKOS00507757111H-394SSMR0006724321-(2,6-Dimethylmorpholino)-2-tosylethan-1-one1-(2,6-Dimethylmorpholin-4-yl)-2-(4-methylbenzene-1-sulfonyl)ethan-1-one
Database identifiers
- CAS
303152-64-9- PubChem CID
- 2767201
- DTXSID
DTXSID801162857- ChEMBL
CHEMBL1728601
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 453
Experimental & physicochemical properties
Solubility>46.7 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 518.4 · 518.4±50.0 °C(Predicted)
- Density
- 1.187 · 1.187±0.06 g/cm3(Predicted)
- pka
- -1.31 · -1.31±0.60(Predicted)
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Related reactions
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Compound notes
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