Compound Identification
SMILES
CN1CCC(C1)C(O)[C@@H]1CC(CN1C)SC(C)=O
InChIKey
InChIKey=DTHHRTMEICZNDT-ARAJFMJPSA-N
Formula
C13H24N2O2S
Mass
272.41
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrrolidines
- Subclass N-alkylpyrrolidines
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Class
Pyrrolidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolidines
Subclass
N-alkylpyrrolidines
Intermediate Tree Nodes
Not available
Direct Parent
N-alkylpyrrolidines
Alternative Parents
1,3-aminoalcohols Trialkylamines Thioesters Secondary alcohols Carbothioic S-esters Amino acids and derivatives 1,2-aminoalcohols Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
N-alkylpyrrolidine - 1,3-aminoalcohol - 1,2-aminoalcohol - Amino acid or derivatives - Secondary alcohol - Tertiary amine - Thiocarboxylic acid ester - Tertiary aliphatic amine - Carbothioic s-ester - Thiocarboxylic acid or derivatives - Carboxylic acid derivative - Sulfenyl compound - Azacycle - Organic nitrogen compound - Amine - Alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-alkylpyrrolidines. These are compounds containing a pyrrolidine moiety that is substituted at the N1-position with an alkyl group. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
External Descriptors
Not available