4,5,6,7-tetrahydro-2H-thieno[2,3-b]azepine

C8H11NS — CID 91365562

IUPAC4,5,6,7-tetrahydro-2H-thieno[2,3-b]azepine
SMILESC1=C2CCCCN=C2SC1
InChIInChI=1S/C8H11NS/c1-2-5-9-8-7(3-1)4-6-10-8/h4H,1-3,5-6H2
InChIKeyPSLSMAXXZYOYOL-UHFFFAOYSA-N
MW153.25 g/mol
LogP2.24
Rot. Bonds

About 4,5,6,7-tetrahydro-2H-thieno[2,3-b]azepine

4,5,6,7-tetrahydro-2H-thieno[2,3-b]azepine (PubChem CID 91365562) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-2H-thieno[2,3-b]azepine.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-2H-thieno[2,3-b]azepine
PubChem CID91365562
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name4,5,6,7-tetrahydro-2H-thieno[2,3-b]azepine
SMILESC1=C2CCCCN=C2SC1
InChIInChI=1S/C8H11NS/c1-2-5-9-8-7(3-1)4-6-10-8/h4H,1-3,5-6H2
InChIKeyPSLSMAXXZYOYOL-UHFFFAOYSA-N
XLogP2.24
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,5,6,7-tetrahydro-2H-thieno[2,3-b]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

1-Prop-2-enylsulfanyl-3,4,6,7-tetrahydroisoquinoline
CID 123451986
2-(Cyclohexen-1-yl)-4,5-dihydro-1,3-thiazole
CID 153802762
2-(Cyclohexen-1-yl)-4,5-dihydro-1,3-thiazole;platinum
CID 160557176
2-Hept-2-en-2-yl-4,5-dihydro-1,3-thiazole
CID 174626693
2-(Cyclohepten-1-yl)-4,5-dihydro-1,3-thiazole
CID 174841609
2-(Cyclopenten-1-yl)-4,5-dihydro-1,3-thiazole
CID 175262952

Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-2H-thieno[2,3-b]azepine?
The IUPAC name of 4,5,6,7-tetrahydro-2H-thieno[2,3-b]azepine (CID 91365562) is 4,5,6,7-tetrahydro-2H-thieno[2,3-b]azepine.
What is the SMILES notation for 4,5,6,7-tetrahydro-2H-thieno[2,3-b]azepine?
The canonical SMILES for 4,5,6,7-tetrahydro-2H-thieno[2,3-b]azepine is C1=C2CCCCN=C2SC1.
What is the InChIKey of 4,5,6,7-tetrahydro-2H-thieno[2,3-b]azepine?
The InChIKey is PSLSMAXXZYOYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c1-2-5-9-8-7(3-1)4-6-10-8/h4H,1-3,5-6H2.
What are the key properties of 4,5,6,7-tetrahydro-2H-thieno[2,3-b]azepine?
4,5,6,7-tetrahydro-2H-thieno[2,3-b]azepine has a molecular weight of 153.25 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-2H-thieno[2,3-b]azepine is sourced from PubChem (CID 91365562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).