5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine

C8H11NS — CID 11513777

IUPAC5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine
SMILESc1cc2c(s1)CCNCC2
InChIInChI=1S/C8H11NS/c1-4-9-5-2-8-7(1)3-6-10-8/h3,6,9H,1-2,4-5H2
InChIKeyJUPMBVNRFXPRCB-UHFFFAOYSA-N
MW153.25 g/mol
LogP1.44
Rot. Bonds

About 5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine

5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine (PubChem CID 11513777) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine
PubChem CID11513777
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine
SMILESc1cc2c(s1)CCNCC2
InChIInChI=1S/C8H11NS/c1-4-9-5-2-8-7(1)3-6-10-8/h3,6,9H,1-2,4-5H2
InChIKeyJUPMBVNRFXPRCB-UHFFFAOYSA-N
XLogP1.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 51.44
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-tetrahydro-4H-thieno[2,3-d]azepine?
The IUPAC name of 5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine (CID 11513777) is 5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine.
What is the SMILES notation for 5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine?
The canonical SMILES for 5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine is c1cc2c(s1)CCNCC2.
What is the InChIKey of 5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine?
The InChIKey is JUPMBVNRFXPRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c1-4-9-5-2-8-7(1)3-6-10-8/h3,6,9H,1-2,4-5H2.
What are the key properties of 5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine?
5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine has a molecular weight of 153.25 g/mol, XLogP of 1.44, 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-tetrahydro-4H-thieno[2,3-d]azepine is sourced from PubChem (CID 11513777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).