Compound Identification
SMILES
O=C(N[C@H]1CN2CCC1CC2)C1=CC=C(S1)C#N
InChIKey
InChIKey=BMWNSLKPKRSTPY-NSHDSACASA-N
Formula
C13H15N3OS
Mass
261.34
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Quinuclidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Quinuclidines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Quinuclidines
Alternative Parents
Thiophene carboxamides 2-heteroaryl carboxamides 2,5-disubstituted thiophenes Piperidines Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Nitriles Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-heteroaryl carboxamide - Quinuclidine - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - 2,5-disubstituted thiophene - Piperidine - Thiophene - Heteroaromatic compound - Amino acid or derivatives - Tertiary aliphatic amine - Carboxamide group - Tertiary amine - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Carbonitrile - Nitrile - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Cyanide - Organic oxide - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as quinuclidines. These are compounds containing a 1-azabicyclo[2.2.2]octane moiety.
External Descriptors
Not available