Structure Information
Structure

Compound Identification

SMILES

CC1N=C(N)SC1C(=O)CCN1CCCC1

InChIKey

InChIKey=ATXJHJJDOASXCQ-UHFFFAOYSA-N

Formula

C11H19N3OS

Mass

241.35

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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

N-alkylpyrrolidines Thiazolines Trialkylamines Isothioureas Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Organic oxides Hydrocarbon derivatives

Molecular Framework

Aliphatic heteromonocyclic compounds

Substituents

Beta-aminoketone - N-alkylpyrrolidine - Pyrrolidine - Meta-thiazoline - Isothiourea - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Aliphatic heteromonocyclic 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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