Basic information
- CAS
902263-48-3- Standard SMILES
O=S(=O)(c1ccc2c(c1)CCCN2)N1CCCC2CCCCC21- InChIKey
LECPJKATPJRAMB-UHFFFAOYSA-N- Molecular formula
- C18H26N2O2S
- Average molar mass
- 334.5 g/mol
- Monoisotopic mass
- 334.17149925
Names & identifiers
- Preferred name
- 1-[(1,2,3,4-Tetrahydro-6-quinolinyl)sulfonyl]-decahydro quinoline
- IUPAC
- 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-1,2,3,4-tetrahydroquinoline
Names & synonyms
MLS000736518CHEMBL1332765DTXSID9058731HMS2856F121-[(1,2,3,4-Tetrahydro-6-quinolinyl)sulfonyl]-decahydro quinoline902263-48-3SMR000528055DS-0058376-(Octahydroquinoline-1(2H)-sulfonyl)-1,2,3,4-tetrahydroquinoline
Database identifiers
- CAS
902263-48-3- PubChem CID
- 5116867
- DTXSID
DTXSID9058731- ChEMBL
CHEMBL1332765
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 57.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 516
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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