Basic information
- Standard SMILES
CC1SC2(CCCC2)C(=O)N1CCCCBr- InChIKey
VQTJPCKHFQVDSC-UHFFFAOYSA-N- Molecular formula
- C12H20BrNOS
- Average molar mass
- 306.26 g/mol
Names & identifiers
- Preferred name
- 3-(4-Bromobutyl)-2-methyl-1-thia-3-azaspiro[4.4]nonan-4-one
- IUPAC
- 3-(4-bromobutyl)-2-methyl-1-thia-3-azaspiro[4.4]nonan-4-one
Names & synonyms
SCHEMBL7990194VQTJPCKHFQVDSC-UHFFFAOYSA-N3-(4-bromobutyl)-2-methyl-1-thia-3-azaspiro[4.4]nonan-4-one
Database identifiers
- PubChem CID
- 10780950
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 266
Related reactions
23 records
Compound notes
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