Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbonyl compounds

Intermediate Tree Nodes

Ketones

Direct Parent

Beta-amino ketones

Alternative Parents

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

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