Compound Identification
SMILES
CC(N)C(C)(C(=O)C=C)S([O-])(=O)=O
InChIKey
InChIKey=YFBFNNHTLNKFIT-UHFFFAOYSA-M
Formula
C7H12NO4S
Mass
206.24
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
- Level 6 Beta-amino ketones
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Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones
Direct Parent
Beta-amino ketones
Alternative Parents
Sulfonyls Organosulfonic acids Enones Alkanesulfonic acids Acryloyl compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Organic anions
Molecular Framework
Aliphatic acyclic compounds
Substituents
Beta-aminoketone - Acryloyl-group - Enone - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Alpha,beta-unsaturated ketone - Amine - Primary amine - Organic nitrogen compound - Primary aliphatic amine - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic anion - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as beta-amino ketones. These are ketones containing a carboxylic acid, and an amine group attached to the beta carbon atom, relative to the C=O group.
External Descriptors
Not available