3-[(dimethylamino)methyl]-4-(3-methoxyphenyl)tetrahydro-2H-thiopyran-4-ol 1-oxide
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Basic information
- CAS
123407-51-2- Standard SMILES
COc1cccc(C2(O)CCS(=O)CC2CN(C)C)c1- InChIKey
SMRSCUYCLLYTCF-UHFFFAOYSA-N- Molecular formula
- C15H23NO3S
- Average molar mass
- 297.4 g/mol
- Monoisotopic mass
- 297.13986477
Names & identifiers
- Preferred name
- 3-[(dimethylamino)methyl]-4-(3-methoxyphenyl)tetrahydro-2H-thiopyran-4-ol 1-oxide
- IUPAC
- 3-[(dimethylamino)methyl]-4-(3-methoxyphenyl)-1-oxothian-4-ol
- English name
- 3-[(dimethylamino)methyl]-4-(3-methoxyphenyl)tetrahydro-2H-thiopyran-4-ol 1-oxide
- Molecular formula
- C15H23NO3S
- Molecular weight
- 297.41302
Names & synonyms
123407-51-22H-Thiopyran-4-ol, 3-[(dimethylamino)methyl]tetrahydro-4-(3-methoxyphenyl)-, 1-oxide3-[(dimethylamino)methyl]-4-(3-methoxyphenyl)tetrahydro-2H-thiopyran-4-ol 1-oxideOprea1_448327AE-641/30109037DTXSID201128627AKOS0050664413-[(dimethylamino)methyl]-4-(3-methoxyphenyl)-1-oxothian-4-ol3-[(Dimethylamino)methyl]-4-hydroxy-4-(3-methoxyphenyl)-1lambda~4~-thian-1-one
Database identifiers
- CAS
123407-51-2- PubChem CID
- 4426324
- DTXSID
DTXSID201128627
Properties
Computed structural propertiesFilling in
- XLogP
- 0.3
- Topological polar surface area
- 69 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 350
Related reactions
0 records
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Compound notes
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