3,4-dihydro-2H-thieno[3,2-c]azepine

C8H9NS — CID 137397439

IUPAC3,4-dihydro-2H-thieno[3,2-c]azepine
SMILESC1=CC2=C(CCS2)CN=C1
InChIInChI=1S/C8H9NS/c1-2-8-7(3-5-10-8)6-9-4-1/h1-2,4H,3,5-6H2
InChIKeyNVLMKOUZCJQMPP-UHFFFAOYSA-N
MW151.23 g/mol
LogP2.02
Rot. Bonds

About 3,4-dihydro-2H-thieno[3,2-c]azepine

3,4-dihydro-2H-thieno[3,2-c]azepine (PubChem CID 137397439) has the molecular formula C8H9NS and a molecular weight of 151.23 g/mol. Its IUPAC name is 3,4-dihydro-2H-thieno[3,2-c]azepine.

Molecular Properties

Compound Name3,4-dihydro-2H-thieno[3,2-c]azepine
PubChem CID137397439
Molecular FormulaC8H9NS
Molecular Weight151.23 g/mol
Exact Mass151.05
IUPAC Name3,4-dihydro-2H-thieno[3,2-c]azepine
SMILESC1=CC2=C(CCS2)CN=C1
InChIInChI=1S/C8H9NS/c1-2-8-7(3-5-10-8)6-9-4-1/h1-2,4H,3,5-6H2
InChIKeyNVLMKOUZCJQMPP-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 3,4-dihydro-2H-thieno[3,2-c]azepine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-thieno[3,2-c]azepine?
The IUPAC name of 3,4-dihydro-2H-thieno[3,2-c]azepine (CID 137397439) is 3,4-dihydro-2H-thieno[3,2-c]azepine.
What is the SMILES notation for 3,4-dihydro-2H-thieno[3,2-c]azepine?
The canonical SMILES for 3,4-dihydro-2H-thieno[3,2-c]azepine is C1=CC2=C(CCS2)CN=C1.
What is the InChIKey of 3,4-dihydro-2H-thieno[3,2-c]azepine?
The InChIKey is NVLMKOUZCJQMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NS/c1-2-8-7(3-5-10-8)6-9-4-1/h1-2,4H,3,5-6H2.
What are the key properties of 3,4-dihydro-2H-thieno[3,2-c]azepine?
3,4-dihydro-2H-thieno[3,2-c]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 3,4-dihydro-2H-thieno[3,2-c]azepine is sourced from PubChem (CID 137397439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).