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CHEBI:85716 - 3-[(2-aminoethyl)thio]-1-azabicyclo[3.2.0]heptan-7-one

Default Structure
ChEBI IDCHEBI:85716
ChEBI Name3-[(2-aminoethyl)thio]-1-azabicyclo[3.2.0]heptan-7-one
Stars
DefinitionA member of the class of azabicycloalkanes that is 1-azabicyclo[3.2.0]heptan-7-one substituted at position 3 by a (2-aminoethyl)thio group.
Last Modified8 June 2015
Submittergemma
DownloadsMolfile
FormulaC8H14N2OS
Net Charge0
Average Mass186.280
Monoisotopic Mass186.08268
SMILESNCCSC1CC2CC(=O)N2C1
InChIInChI=1S/C8H14N2OS/c9-1-2-12-7-3-6-4-8(11)10(6)5-7/h6-7H,1-5,9H2
InChIKeyXUDBEWBIFKREBQ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
3-[(2-aminoethyl)thio]-1-azabicyclo[3.2.0]heptan-7-one (CHEBI:85716) is a aliphatic sulfide (CHEBI:22327)
3-[(2-aminoethyl)thio]-1-azabicyclo[3.2.0]heptan-7-one (CHEBI:85716) is a azabicycloalkane (CHEBI:38295)
3-[(2-aminoethyl)thio]-1-azabicyclo[3.2.0]heptan-7-one (CHEBI:85716) is a primary amino compound (CHEBI:50994)
3-[(2-aminoethyl)thio]-1-azabicyclo[3.2.0]heptan-7-one (CHEBI:85716) is a β-lactam (CHEBI:35627)
IUPAC Name 
3-[(2-aminoethyl)sulfanyl]-1-azabicyclo[3.2.0]heptan-7-one
Citations