Basic information
- CAS
5033-23-8- Standard SMILES
O=S(=O)(c1ccccc1)N1CCCCC1- InChIKey
VRYWBMTXKFQBCA-UHFFFAOYSA-N- Molecular formula
- C11H15NO2S
- Average molar mass
- 225.31 g/mol
- Monoisotopic mass
- 225.08234989
Names & identifiers
- Preferred name
- 1-(Phenylsulfonyl)piperidine
- IUPAC
- 1-(benzenesulfonyl)piperidine
- English name
- 1-(Phenylsulfonyl)piperidine, 97%
- Molecular formula
- C11H15NO2S
- Molecular weight
- 225.31
Names & synonyms
1-(Phenylsulfonyl)piperidine5033-23-8Piperidine, 1-(phenylsulfonyl)-DTXSID90198344RefChem:1054743DTXCID201208351-(benzenesulfonyl)piperidineBRN 0190323AI3-30823NSC14850Benzolsulfonsaurepiperidid(phenylsulfonyl)piperidine
Show more names
1-(Phenylsulfonyl)piperidine, 97%
1-Benzenesulfonyl-piperidineSCHEMBL76639ghl.PD_Mitscher_leg0.8755-20-03-00492 (Beilstein Handbook Reference)SCHEMBL2937761-(benzenesulfonyl)-piperidineSCHEMBL1419618SCHEMBL1902263
Database identifiers
- CAS
5033-23-8- PubChem CID
- 78733
- DTXSID
DTXSID90198344- Nikkaji
- J573.011B
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 282
Experimental & physicochemical properties
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 91.3 · 91.3-97 °C
- Boiling point
- 356.5 · 356.5±25.0 °C(Predicted)
- Density
- 1.219 · 1.219±0.06 g/cm3(Predicted)
- pka
- -4.73 · -4.73±0.20(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers8 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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