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CHEBI:85717 - 3-[(2-aminoethyl)thio]-6-methyl-1-azabicyclo[3.2.0]heptan-7-one

ChEBI IDCHEBI:85717
ChEBI Name3-[(2-aminoethyl)thio]-6-methyl-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 positions 3 and 6 by (2-aminoethyl)thio and methyl groups respectively.
Last Modified8 June 2015
Submittergemma
DownloadsMolfile
FormulaC9H16N2OS
Net Charge0
Average Mass200.307
Monoisotopic Mass200.09833
SMILESCC1C(=O)N2CC(SCCN)CC12
InChIInChI=1S/C9H16N2OS/c1-6-8-4-7(13-3-2-10)5-11(8)9(6)12/h6-8H,2-5,10H2,1H3
InChIKeyPCWOYVVHARUQFV-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]-6-methyl-1-azabicyclo[3.2.0]heptan-7-one (CHEBI:85717) is a aliphatic sulfide (CHEBI:22327)
3-[(2-aminoethyl)thio]-6-methyl-1-azabicyclo[3.2.0]heptan-7-one (CHEBI:85717) is a azabicycloalkane (CHEBI:38295)
3-[(2-aminoethyl)thio]-6-methyl-1-azabicyclo[3.2.0]heptan-7-one (CHEBI:85717) is a primary amino compound (CHEBI:50994)
3-[(2-aminoethyl)thio]-6-methyl-1-azabicyclo[3.2.0]heptan-7-one (CHEBI:85717) is a β-lactam (CHEBI:35627)
IUPAC Name 
3-[(2-aminoethyl)sulfanyl]-6-methyl-1-azabicyclo[3.2.0]heptan-7-one
Citations