4'-piperidin-1-ylspiro[1,3-dithiane-2,3'-5,6,7,8-tetrahydro-4H-chromene]-2'-one
Basic information
- CAS
61588-04-3- Standard SMILES
O=C1OC2=C(CCCC2)C(N2CCCCC2)C12SCCCS2- InChIKey
OEYWTFIUIXVNHY-UHFFFAOYSA-N- Molecular formula
- C17H25NO2S2
- Average molar mass
- 339.5 g/mol
- Monoisotopic mass
- 339.13267139
Names & identifiers
- Preferred name
- 4'-piperidin-1-ylspiro[1,3-dithiane-2,3'-5,6,7,8-tetrahydro-4H-chromene]-2'-one
- IUPAC
- 4'-piperidin-1-ylspiro[1,3-dithiane-2,3'-5,6,7,8-tetrahydro-4H-chromene]-2'-one
Names & synonyms
61588-04-3NSC2895834'-piperidin-1-ylspiro[1,3-dithiane-2,3'-5,6,7,8-tetrahydro-4H-chromene]-2'-oneDTXSID60314897NSC-2895834-(Piperidin-1-yl)-5,6,7,8-tetrahydro-2H,4H-spiro[[1]benzopyran-3,2'-[1,3]dithian]-2-one
Database identifiers
- CAS
61588-04-3- PubChem CID
- 324388
- DTXSID
DTXSID60314897
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 80.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 479
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…