N,N-Diethyl-5-methyl-6-phenyl-3,4-dihydro-1,2-oxathiin-4-amine 2,2-dioxide
Basic information
- CAS
76312-37-3- Standard SMILES
CCN(CC)C1CS(=O)(=O)OC(c2ccccc2)=C1C- InChIKey
POTCMTXCDHWWIS-UHFFFAOYSA-N- Molecular formula
- C15H21NO3S
- Average molar mass
- 295.4 g/mol
- Monoisotopic mass
- 295.12421471
Names & identifiers
- Preferred name
- N,N-Diethyl-5-methyl-6-phenyl-3,4-dihydro-1,2-oxathiin-4-amine 2,2-dioxide
- IUPAC
- N,N-diethyl-5-methyl-2,2-dioxo-6-phenyl-3,4-dihydrooxathiin-4-amine
Names & synonyms
76312-37-3NSC335681NSC 335681N,N-Diethyl-5-methyl-6-phenyl-3,4-dihydro-1,2-oxathiin-4-amine 2,2-dioxideN,N-diethyl-5-methyl-2,2-dioxo-6-phenyl-3,4-dihydrooxathiin-4-amineNSC-335681N,N-Diethyl-N-(5-methyl-2,2-dioxido-6-phenyl-3,4-dihydro-1,2-oxathiin-4-yl)amine
Database identifiers
- CAS
76312-37-3- PubChem CID
- 333556
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 55 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 454
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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