N-[(E)-1-(2-pyridyl)ethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide
Basic information
- CAS
71555-47-0- Standard SMILES
C/C(=N\NC(=S)N1CC2CCC(CC2)C1)c1ccccn1- InChIKey
MMEBJLATRATDOX-LDADJPATSA-N- Molecular formula
- C16H22N4S
- Average molar mass
- 302.4 g/mol
- Monoisotopic mass
- 302.15651789
Names & identifiers
- Preferred name
- N-[(E)-1-(2-pyridyl)ethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide
- IUPAC
- N-[(E)-1-pyridin-2-ylethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide
Names & synonyms
MLS00311568071555-47-0NSC294814CHEMBL1274703-Azabicyclo[3.2.2]nonane-3-carbothioic acid, [1-(2-pyridinyl)ethylidene]hydrazideNSC-294814BRD-K95158609-001-01-0N'-[(1E)-1-(2-Pyridinyl)ethylidene]-3-azabicyclo[3.2.2]nonane-3-carbothiohydrazideN-[(E)-1-(2-pyridyl)ethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide
Database identifiers
- CAS
71555-47-0- PubChem CID
- 5361900
- ChEMBL
CHEMBL127470- Nikkaji
- J84.594I
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 387
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Compound notes
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