5,6,7,8-tetrahydrothieno[3,4-c]azepin-4-one

C8H9NOS — CID 82413649

IUPAC5,6,7,8-tetrahydrothieno[3,4-c]azepin-4-one
SMILESO=C1NCCCc2cscc21
InChIInChI=1S/C8H9NOS/c10-8-7-5-11-4-6(7)2-1-3-9-8/h4-5H,1-3H2,(H,9,10)
InChIKeyDAXGAHZDPBTMSR-UHFFFAOYSA-N
MW167.23 g/mol
LogP1.42
Rot. Bonds

About 5,6,7,8-tetrahydrothieno[3,4-c]azepin-4-one

5,6,7,8-tetrahydrothieno[3,4-c]azepin-4-one (PubChem CID 82413649) has the molecular formula C8H9NOS and a molecular weight of 167.23 g/mol. Its IUPAC name is 5,6,7,8-tetrahydrothieno[3,4-c]azepin-4-one.

Molecular Properties

Compound Name5,6,7,8-tetrahydrothieno[3,4-c]azepin-4-one
PubChem CID82413649
Molecular FormulaC8H9NOS
Molecular Weight167.23 g/mol
Exact Mass167.04
IUPAC Name5,6,7,8-tetrahydrothieno[3,4-c]azepin-4-one
SMILESO=C1NCCCc2cscc21
InChIInChI=1S/C8H9NOS/c10-8-7-5-11-4-6(7)2-1-3-9-8/h4-5H,1-3H2,(H,9,10)
InChIKeyDAXGAHZDPBTMSR-UHFFFAOYSA-N
XLogP1.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydrothieno[3,4-c]azepin-4-one?
The IUPAC name of 5,6,7,8-tetrahydrothieno[3,4-c]azepin-4-one (CID 82413649) is 5,6,7,8-tetrahydrothieno[3,4-c]azepin-4-one.
What is the SMILES notation for 5,6,7,8-tetrahydrothieno[3,4-c]azepin-4-one?
The canonical SMILES for 5,6,7,8-tetrahydrothieno[3,4-c]azepin-4-one is O=C1NCCCc2cscc21.
What is the InChIKey of 5,6,7,8-tetrahydrothieno[3,4-c]azepin-4-one?
The InChIKey is DAXGAHZDPBTMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NOS/c10-8-7-5-11-4-6(7)2-1-3-9-8/h4-5H,1-3H2,(H,9,10).
What are the key properties of 5,6,7,8-tetrahydrothieno[3,4-c]azepin-4-one?
5,6,7,8-tetrahydrothieno[3,4-c]azepin-4-one has a molecular weight of 167.23 g/mol, XLogP of 1.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydrothieno[3,4-c]azepin-4-one is sourced from PubChem (CID 82413649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).