Compound Identification
SMILES
OCC1=C(CN2[C@H]1CCC2=O)SC1=CC=CC=C1
InChIKey
InChIKey=RGEQGSWQNPFOJQ-LBPRGKRZSA-N
Formula
C14H15NO2S
Mass
261.34
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Not available
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Alkaloids and derivatives
Alternative Parents
Pyrrolizines Aryl thioethers Pyrrolidine-2-ones Benzene and substituted derivatives N-alkylpyrrolidines Tertiary carboxylic acid amides Pyrrolines Thioenol ethers Lactams Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organonitrogen compounds Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkaloid or derivatives - Aryl thioether - Pyrrolizine - Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - Benzenoid - N-alkylpyrrolidine - Pyrrolidine - Pyrroline - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Thioenolether - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Alcohol - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alkaloids and derivatives. These are naturally occurring chemical compounds that contain mostly basic nitrogen atoms. This group also includes some related compounds with neutral and even weakly acidic properties. Also some synthetic compounds of similar structure are attributed to alkaloids. In addition to carbon, hydrogen and nitrogen, alkaloids may also contain oxygen, sulfur and more rarely other elements such as chlorine, bromine, and phosphorus.
External Descriptors
Not available