Compound Identification
SMILES
COC1=CC=C(S1)[13C](=O)N[C@@H]1C2CCN(CC2)[C@H]1C
InChIKey
InChIKey=VPCAVLNPVOJMMR-LFSXIXFZSA-N
Formula
C14H20N2O2S
Mass
281.38
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 Alkyl aryl ethers 2,5-disubstituted thiophenes Piperidines Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-heteroaryl carboxamide - Quinuclidine - Thiophene carboxylic acid or derivatives - Thiophene carboxamide - Alkyl aryl ether - 2,5-disubstituted thiophene - Piperidine - Heteroaromatic compound - Thiophene - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Azacycle - Organonitrogen compound - Amine - Organic nitrogen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - 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