3-Azabicyclo(3.2.2)nonane-3-thiocarboxylic acid, (2-pyridylmethylene)hydrazide
Basic information
- CAS
75488-63-0- Standard SMILES
S=C(N/N=C/c1ccccn1)N1CC2CCC(CC2)C1- InChIKey
SOFPDFXZPLBDHW-RQZCQDPDSA-N- Molecular formula
- C15H20N4S
- Average molar mass
- 288.4 g/mol
- Monoisotopic mass
- 288.14086783
Names & identifiers
- Preferred name
- 3-Azabicyclo(3.2.2)nonane-3-thiocarboxylic acid, (2-pyridylmethylene)hydrazide
- IUPAC
- N-[(E)-pyridin-2-ylmethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide
Names & synonyms
NSC6678853-AZABICYCLO(3.2.2)NONANE-3-THIOCARBOXYLIC ACID, (2-PYRIDYLMETHYLENE)HYDRAZIDE75488-63-0CHEMBL1999011SCHEMBL31237308SOFPDFXZPLBDHW-RQZCQDPDSA-NNSC-667885N'-(2-Pyridinylmethylene)-3-azabicyclo[3.2.2]nonane-3-carbothiohydrazide3-Azabicyclo[3.2.2]noname-3-thiocarboxylic acid 2-[2-pyridyl-methylene]hydrazideN'-[(E)-2-Pyridinylmethylidene]-3-azabicyclo[3.2.2]nonane-3-carbothiohydrazide #N-[(E)-2-pyridylmethyleneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide
Database identifiers
- CAS
75488-63-0- PubChem CID
- 9554752
- ChEMBL
CHEMBL1999011- Nikkaji
- J84.595G
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 349
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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