Thiophenoazepinone

C8H7NOS — CID 138753416

IUPAC2H-thieno[3,2-b]azepine 1-oxide
SMILESO=S1CC=C2N=CC=CC=C21
InChIInChI=1S/C8H7NOS/c10-11-6-4-7-8(11)3-1-2-5-9-7/h1-5H,6H2
InChIKeyHSQADEDNMGEYET-UHFFFAOYSA-N
MW165.22 g/mol
LogP1.16
Rot. Bonds

About Thiophenoazepinone

Thiophenoazepinone (PubChem CID 138753416) has the molecular formula C8H7NOS and a molecular weight of 165.22 g/mol. Its IUPAC name is 2H-thieno[3,2-b]azepine 1-oxide.

Molecular Properties

Compound NameThiophenoazepinone
PubChem CID138753416
Molecular FormulaC8H7NOS
Molecular Weight165.22 g/mol
Exact Mass165.02
IUPAC Name2H-thieno[3,2-b]azepine 1-oxide
SMILESO=S1CC=C2N=CC=CC=C21
InChIInChI=1S/C8H7NOS/c10-11-6-4-7-8(11)3-1-2-5-9-7/h1-5H,6H2
InChIKeyHSQADEDNMGEYET-UHFFFAOYSA-N
XLogP1.16
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of Thiophenoazepinone?
The IUPAC name of Thiophenoazepinone (CID 138753416) is 2H-thieno[3,2-b]azepine 1-oxide.
What is the SMILES notation for Thiophenoazepinone?
The canonical SMILES for Thiophenoazepinone is O=S1CC=C2N=CC=CC=C21.
What is the InChIKey of Thiophenoazepinone?
The InChIKey is HSQADEDNMGEYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NOS/c10-11-6-4-7-8(11)3-1-2-5-9-7/h1-5H,6H2.
What are the key properties of Thiophenoazepinone?
Thiophenoazepinone has a molecular weight of 165.22 g/mol, XLogP of 1.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Thiophenoazepinone is sourced from PubChem (CID 138753416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).