2H-thieno[2,3-d]azepine 1-oxide

C8H7NOS — CID 139981179

IUPAC2H-thieno[2,3-d]azepine 1-oxide
SMILESO=S1CC=C2C=CN=CC=C21
InChIInChI=1S/C8H7NOS/c10-11-6-3-7-1-4-9-5-2-8(7)11/h1-5H,6H2
InChIKeyPHHWNAFQGSUDME-UHFFFAOYSA-N
MW165.22 g/mol
LogP1.16
Rot. Bonds

About 2H-thieno[2,3-d]azepine 1-oxide

2H-thieno[2,3-d]azepine 1-oxide (PubChem CID 139981179) has the molecular formula C8H7NOS and a molecular weight of 165.22 g/mol. Its IUPAC name is 2H-thieno[2,3-d]azepine 1-oxide.

Molecular Properties

Compound Name2H-thieno[2,3-d]azepine 1-oxide
PubChem CID139981179
Molecular FormulaC8H7NOS
Molecular Weight165.22 g/mol
Exact Mass165.02
IUPAC Name2H-thieno[2,3-d]azepine 1-oxide
SMILESO=S1CC=C2C=CN=CC=C21
InChIInChI=1S/C8H7NOS/c10-11-6-3-7-1-4-9-5-2-8(7)11/h1-5H,6H2
InChIKeyPHHWNAFQGSUDME-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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Related Compounds

Thieno[3,4-b]azepinone
CID 129757548
3,8-dihydro-1H-thieno[3,4-d]azepine
CID 57099393
2H-thieno[2,3-c]azepine
CID 66621567
2H-thieno[2,3-d]azepine
CID 67205879
3H-thieno[3,4-d]azepine
CID 67753477
2H-thieno[3,2-c]azepine
CID 70463907
5H-thieno[2,3-c]azepine
CID 90974805
2H-thieno[2,3-c]azepine;dihydrochloride
CID 162336078
2H-thieno[2,3-d]azepine;dihydrochloride
CID 172789909

Frequently Asked Questions

What is the IUPAC name of 2H-thieno[2,3-d]azepine 1-oxide?
The IUPAC name of 2H-thieno[2,3-d]azepine 1-oxide (CID 139981179) is 2H-thieno[2,3-d]azepine 1-oxide.
What is the SMILES notation for 2H-thieno[2,3-d]azepine 1-oxide?
The canonical SMILES for 2H-thieno[2,3-d]azepine 1-oxide is O=S1CC=C2C=CN=CC=C21.
What is the InChIKey of 2H-thieno[2,3-d]azepine 1-oxide?
The InChIKey is PHHWNAFQGSUDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NOS/c10-11-6-3-7-1-4-9-5-2-8(7)11/h1-5H,6H2.
What are the key properties of 2H-thieno[2,3-d]azepine 1-oxide?
2H-thieno[2,3-d]azepine 1-oxide 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 2H-thieno[2,3-d]azepine 1-oxide is sourced from PubChem (CID 139981179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).