Molecule ID: 71316501

IUPAC Name: (2-ethylpyridin-4-yl)-sulfinylmethanamine

Description: The molecule is a member of the class of pyridines that is the S-oxide and active metabolite of the antitubercular drug ethionamide. It has a role as a human xenobiotic metabolite, an antilipemic drug, an antitubercular agent, a fatty acid synthesis inhibitor and a leprostatic drug. It derives from an ethionamide.

SMILES: CCc1cc(C(N)=S=O)ccn1

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

InChI: InChI=1S/C8H10N2OS/c1-2-7-5-6(3-4-10-7)8(9)12-11/h3-5H,2,9H2,1H3

Molecular Properties:
- Polar Surface Area: 57.0 Ų
- LogP: 0.8