Piperidine, 1-(4-phenyltetrahydro-2H-thiopyran-4-yl)-, S,S-dioxide, hydrochloride
Basic information
- CAS
21602-58-4- Standard SMILES
Cl.O=S1(=O)CCC(c2ccccc2)(N2CCCCC2)CC1- InChIKey
ZPYSQRRYFWTIOD-UHFFFAOYSA-N- Molecular formula
- C16H24ClNO2S
- Average molar mass
- 329.9 g/mol
- Monoisotopic mass
- 329.1216279
Names & identifiers
- Preferred name
- Piperidine, 1-(4-phenyltetrahydro-2H-thiopyran-4-yl)-, S,S-dioxide, hydrochloride
- IUPAC
- 4-phenyl-4-piperidin-1-ylthiane 1,1-dioxide;hydrochloride
Names & synonyms
21602-58-41-(Phenyltetrahydro-4-thiopyranyl)piperidine, oxide, hydrochlorideDTXSID00175984Piperidine, 1-(4-phenyltetrahydro-2H-thiopyran-4-yl)-, S,S-dioxide, hydrochlorideRefChem:373112DTXCID00984754-Phenyl-4-(piperidin-1-yl)-1lambda~6~-thiane-1,1-dione--hydrogen chloride (1/1)
Database identifiers
- CAS
21602-58-4- PubChem CID
- 210769
- DTXSID
DTXSID00175984
Properties
Computed structural properties
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 400
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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