3,8-dihydro-1H-thieno[3,4-d]azepine

C8H9NS — CID 57099393

IUPAC3,8-dihydro-1H-thieno[3,4-d]azepine
SMILESC1=CC2=C(CC=N1)CSC2
InChIInChI=1S/C8H9NS/c1-3-9-4-2-8-6-10-5-7(1)8/h1,3-4H,2,5-6H2
InChIKeyXBDMGXRWZXFJAC-UHFFFAOYSA-N
MW151.23 g/mol
LogP2.02
Rot. Bonds

About 3,8-dihydro-1H-thieno[3,4-d]azepine

3,8-dihydro-1H-thieno[3,4-d]azepine (PubChem CID 57099393) has the molecular formula C8H9NS and a molecular weight of 151.23 g/mol. Its IUPAC name is 3,8-dihydro-1H-thieno[3,4-d]azepine.

Molecular Properties

Compound Name3,8-dihydro-1H-thieno[3,4-d]azepine
PubChem CID57099393
Molecular FormulaC8H9NS
Molecular Weight151.23 g/mol
Exact Mass151.05
IUPAC Name3,8-dihydro-1H-thieno[3,4-d]azepine
SMILESC1=CC2=C(CC=N1)CSC2
InChIInChI=1S/C8H9NS/c1-3-9-4-2-8-6-10-5-7(1)8/h1,3-4H,2,5-6H2
InChIKeyXBDMGXRWZXFJAC-UHFFFAOYSA-N
XLogP2.02
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,8-dihydro-1H-thieno[3,4-d]azepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2H-thieno[2,3-c]azepine
CID 66621567
2H-thieno[2,3-d]azepine
CID 67205879
3H-thieno[3,4-d]azepine
CID 67753477
2H-thieno[3,2-c]azepine
CID 70463907
6-Thia-11-azatricyclo[8.4.0.03,7]tetradeca-1,3,7,9,11,13-hexaene
CID 87987409
5H-thieno[2,3-c]azepine
CID 90974805
3,4-dihydro-2H-thieno[3,2-c]azepine
CID 137397439
6-Thia-9,14-diazatricyclo[8.4.0.03,7]tetradeca-1,3,7,9,11,13-hexaene
CID 139785585
2H-thieno[2,3-d]azepine 1-oxide
CID 139981179
2H-thieno[3,2-i][3]benzazepine
CID 140968436
3-Ethylsulfanyl-3-methylazepine
CID 142497794
6-(1-ethenylsulfanylethenyl)-4H-azepine
CID 143076341

Frequently Asked Questions

What is the IUPAC name of 3,8-dihydro-1H-thieno[3,4-d]azepine?
The IUPAC name of 3,8-dihydro-1H-thieno[3,4-d]azepine (CID 57099393) is 3,8-dihydro-1H-thieno[3,4-d]azepine.
What is the SMILES notation for 3,8-dihydro-1H-thieno[3,4-d]azepine?
The canonical SMILES for 3,8-dihydro-1H-thieno[3,4-d]azepine is C1=CC2=C(CC=N1)CSC2.
What is the InChIKey of 3,8-dihydro-1H-thieno[3,4-d]azepine?
The InChIKey is XBDMGXRWZXFJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NS/c1-3-9-4-2-8-6-10-5-7(1)8/h1,3-4H,2,5-6H2.
What are the key properties of 3,8-dihydro-1H-thieno[3,4-d]azepine?
3,8-dihydro-1H-thieno[3,4-d]azepine has a molecular weight of 151.23 g/mol, XLogP of 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dihydro-1H-thieno[3,4-d]azepine is sourced from PubChem (CID 57099393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).