Molecule ID: 92142

IUPAC Name: 2-[(3S)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione

Description: The molecule is a 2-(2,6-dioxopiperidin-3-yl)-1H-isoindole-1,3(2H)-dione that has S-configuration at the chiral centre. It has a role as a teratogenic agent. It is an enantiomer of a (R)-thalidomide.

SMILES: O=C1N=C(O)CC[C@@H]1N1C(=O)c2ccccc2C1=O

SELFIES: [O][=C][N][=C][Branch1][C][O][C][C][C@@H1][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O]

InChI: InChI=1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)/t9-/m0/s1

Molecular Properties:
- Polar Surface Area: 83.6 Ų
- LogP: 0.3