Molecule ID: 91825681

IUPAC Name: 3-(2-aminoethylsulfanyl)-6-methyl-1-azabicyclo[3.2.0]heptan-7-one

Description: The molecule is a 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. It is a beta-lactam, an aliphatic sulfide, an azabicycloalkane and a primary amino compound.

SMILES: CC1C(=O)N2CC(SCCN)CC12

SELFIES: [C][C][C][=Branch1][C][=O][N][C][C][Branch1][Branch1][S][C][C][N][C][C][Ring1][N][Ring1][=Branch2]

InChI: InChI=1S/C9H16N2OS/c1-6-8-4-7(13-3-2-10)5-11(8)9(6)12/h6-8H,2-5,10H2,1H3

Molecular Properties:
- Polar Surface Area: 71.6 Ų
- LogP: 0.0