5,8-dihydro-4H-thieno[2,3-b]azepine

C8H9NS — CID 161012356

IUPAC5,8-dihydro-4H-thieno[2,3-b]azepine
SMILESC1=CNc2sccc2CC1
InChIInChI=1S/C8H9NS/c1-2-5-9-8-7(3-1)4-6-10-8/h2,4-6,9H,1,3H2
InChIKeyWMSHCKRFFGNPEM-UHFFFAOYSA-N
MW151.23 g/mol
LogP2.62
Rot. Bonds

About 5,8-dihydro-4H-thieno[2,3-b]azepine

5,8-dihydro-4H-thieno[2,3-b]azepine (PubChem CID 161012356) has the molecular formula C8H9NS and a molecular weight of 151.23 g/mol. Its IUPAC name is 5,8-dihydro-4H-thieno[2,3-b]azepine.

Molecular Properties

Compound Name5,8-dihydro-4H-thieno[2,3-b]azepine
PubChem CID161012356
Molecular FormulaC8H9NS
Molecular Weight151.23 g/mol
Exact Mass151.05
IUPAC Name5,8-dihydro-4H-thieno[2,3-b]azepine
SMILESC1=CNc2sccc2CC1
InChIInChI=1S/C8H9NS/c1-2-5-9-8-7(3-1)4-6-10-8/h2,4-6,9H,1,3H2
InChIKeyWMSHCKRFFGNPEM-UHFFFAOYSA-N
XLogP2.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,8-dihydro-4H-thieno[2,3-b]azepine?
The IUPAC name of 5,8-dihydro-4H-thieno[2,3-b]azepine (CID 161012356) is 5,8-dihydro-4H-thieno[2,3-b]azepine.
What is the SMILES notation for 5,8-dihydro-4H-thieno[2,3-b]azepine?
The canonical SMILES for 5,8-dihydro-4H-thieno[2,3-b]azepine is C1=CNc2sccc2CC1.
What is the InChIKey of 5,8-dihydro-4H-thieno[2,3-b]azepine?
The InChIKey is WMSHCKRFFGNPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NS/c1-2-5-9-8-7(3-1)4-6-10-8/h2,4-6,9H,1,3H2.
What are the key properties of 5,8-dihydro-4H-thieno[2,3-b]azepine?
5,8-dihydro-4H-thieno[2,3-b]azepine has a molecular weight of 151.23 g/mol, XLogP of 2.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dihydro-4H-thieno[2,3-b]azepine is sourced from PubChem (CID 161012356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).