4-(Ethanesulfonyl)-1-(piperidin-1-yl)hexan-1-one
Basic information
- CAS
67465-28-5- Standard SMILES
CCC(CCC(=O)N1CCCCC1)S(=O)(=O)CC- InChIKey
YXWVGEKYHLCSSX-UHFFFAOYSA-N- Molecular formula
- C13H25NO3S
- Average molar mass
- 275.41 g/mol
- Monoisotopic mass
- 275.15551483
Names & identifiers
- Preferred name
- 4-(Ethanesulfonyl)-1-(piperidin-1-yl)hexan-1-one
- IUPAC
- 4-ethylsulfonyl-1-piperidin-1-ylhexan-1-one
- English name
- 1-(Ethylsulfonyl)-1-ethylpropylpiperidino ketone
- Molecular formula
- C13H25NO3S
- Molecular weight
- 275.41
Names & synonyms
DTXSID0098675967465-28-54-(Ethanesulfonyl)-1-(piperidin-1-yl)hexan-1-oneRefChem:1070118DTXCID5014139343-(3-Ethylsulfonyl)pentyl piperidino ketoneBRN 1316621KETONE, 3-(3-ETHYLSULFONYL)PENTYL PIPERIDINO5-20-03-00055 (Beilstein Handbook Reference)1-(Ethylsulfonyl)-1-ethylpropylpiperidino ketone1-Butanone, 2-ethyl-2-(ethylsulfonyl)-1-(1-piperidinyl)-
Database identifiers
- CAS
67465-28-5- PubChem CID
- 49860
- DTXSID
DTXSID00986759
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 353
Physicochemical properties
- Density
- 1.1248 · 1.1248 (rough estimate)
- refractive index
- 1.68 · 1.6800 (estimate)
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Compound notes
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