Structure

InChI Key JWIXXNLOKOAAQT-UHFFFAOYSA-N
Smile CN1CCCC(=C(c2cccs2)c2cccs2)C1
InChI
InChI=1S/C15H17NS2/c1-16-8-2-5-12(11-16)15(13-6-3-9-17-13)14-7-4-10-18-14/h3-4,6-7,9-10H,2,5,8,11H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H17NS2
Molecular Weight 275.44
AlogP 4.34
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 2.0
Polar Surface Area 3.24
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 18.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Attention Deficit Disorder with Hyperactivity 2 D001289 ClinicalTrials
Depressive Disorder 2 D003866 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 135141
ChEMBL CHEMBL1899506
DrugBank DB13474
DrugCentral 253
EPA CompTox DTXSID2022626
FDA SRS 2260ZP67IT
PubChem 5484
SureChEMBL SCHEMBL410090
ZINC ZINC000055161150