4,5,6,8-tetrahydrothieno[2,3-c]oxepin-8-ylmethanamine

C9H13NOS — CID 166627175

IUPAC4,5,6,8-tetrahydrothieno[2,3-c]oxepin-8-ylmethanamine
SMILESNCC1OCCCc2ccsc21
InChIInChI=1S/C9H13NOS/c10-6-8-9-7(3-5-12-9)2-1-4-11-8/h3,5,8H,1-2,4,6,10H2
InChIKeyZBDVLCXKJJAMFQ-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.71
Rot. Bonds1

About 4,5,6,8-tetrahydrothieno[2,3-c]oxepin-8-ylmethanamine

4,5,6,8-tetrahydrothieno[2,3-c]oxepin-8-ylmethanamine (PubChem CID 166627175) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 4,5,6,8-tetrahydrothieno[2,3-c]oxepin-8-ylmethanamine.

Molecular Properties

Compound Name4,5,6,8-tetrahydrothieno[2,3-c]oxepin-8-ylmethanamine
PubChem CID166627175
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name4,5,6,8-tetrahydrothieno[2,3-c]oxepin-8-ylmethanamine
SMILESNCC1OCCCc2ccsc21
InChIInChI=1S/C9H13NOS/c10-6-8-9-7(3-5-12-9)2-1-4-11-8/h3,5,8H,1-2,4,6,10H2
InChIKeyZBDVLCXKJJAMFQ-UHFFFAOYSA-N
XLogP1.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,5,6,8-tetrahydrothieno[2,3-c]oxepin-8-ylmethanamine 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 4,5,6,8-tetrahydrothieno[2,3-c]oxepin-8-ylmethanamine?
The IUPAC name of 4,5,6,8-tetrahydrothieno[2,3-c]oxepin-8-ylmethanamine (CID 166627175) is 4,5,6,8-tetrahydrothieno[2,3-c]oxepin-8-ylmethanamine.
What is the SMILES notation for 4,5,6,8-tetrahydrothieno[2,3-c]oxepin-8-ylmethanamine?
The canonical SMILES for 4,5,6,8-tetrahydrothieno[2,3-c]oxepin-8-ylmethanamine is NCC1OCCCc2ccsc21.
What is the InChIKey of 4,5,6,8-tetrahydrothieno[2,3-c]oxepin-8-ylmethanamine?
The InChIKey is ZBDVLCXKJJAMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c10-6-8-9-7(3-5-12-9)2-1-4-11-8/h3,5,8H,1-2,4,6,10H2.
What are the key properties of 4,5,6,8-tetrahydrothieno[2,3-c]oxepin-8-ylmethanamine?
4,5,6,8-tetrahydrothieno[2,3-c]oxepin-8-ylmethanamine has a molecular weight of 183.28 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,8-tetrahydrothieno[2,3-c]oxepin-8-ylmethanamine is sourced from PubChem (CID 166627175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).