Basic information
- Standard SMILES
CC(C)CN1C(=Nc2ccc(C#N)s2)SCC12CCCC2- InChIKey
FIQCAHGTACJTKU-UHFFFAOYSA-N- Molecular formula
- C16H21N3S2
- Average molar mass
- 319.5 g/mol
- Monoisotopic mass
- 319.11769003
Names & identifiers
- Preferred name
- 2-(5-Cyanothienylimino)-1-isobutyl-3-thia-1-azaspiro[4.4]nonane
- IUPAC
- 5-[[1-(2-methylpropyl)-3-thia-1-azaspiro[4.4]nonan-2-ylidene]amino]thiophene-2-carbonitrile
Names & synonyms
SCHEMBL7117798SCHEMBL7117801FIQCAHGTACJTKU-UHFFFAOYSA-N2-(5-cyanothienylimino)-1-isobutyl-3-thia-1-azaspiro[4.4]nonane
Database identifiers
- PubChem CID
- 53801351
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 92.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 459
Related reactions
2 records
Compound notes
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