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

C8H9NS — CID 21467132

IUPAC4,5-dihydro-3aH-thieno[3,2-b]azepine
SMILESC1=CCNC2C=CSC2=C1
InChIInChI=1S/C8H9NS/c1-2-5-9-7-4-6-10-8(7)3-1/h1-4,6-7,9H,5H2
InChIKeyQMNLOPNUZORWEK-UHFFFAOYSA-N
MW151.23 g/mol
LogP1.66
Rot. Bonds

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

4,5-dihydro-3aH-thieno[3,2-b]azepine (PubChem CID 21467132) has the molecular formula C8H9NS and a molecular weight of 151.23 g/mol. Its IUPAC name is 4,5-dihydro-3aH-thieno[3,2-b]azepine.

Molecular Properties

Compound Name4,5-dihydro-3aH-thieno[3,2-b]azepine
PubChem CID21467132
Molecular FormulaC8H9NS
Molecular Weight151.23 g/mol
Exact Mass151.05
IUPAC Name4,5-dihydro-3aH-thieno[3,2-b]azepine
SMILESC1=CCNC2C=CSC2=C1
InChIInChI=1S/C8H9NS/c1-2-5-9-7-4-6-10-8(7)3-1/h1-4,6-7,9H,5H2
InChIKeyQMNLOPNUZORWEK-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-3aH-thieno[3,2-b]azepine?
The IUPAC name of 4,5-dihydro-3aH-thieno[3,2-b]azepine (CID 21467132) is 4,5-dihydro-3aH-thieno[3,2-b]azepine.
What is the SMILES notation for 4,5-dihydro-3aH-thieno[3,2-b]azepine?
The canonical SMILES for 4,5-dihydro-3aH-thieno[3,2-b]azepine is C1=CCNC2C=CSC2=C1.
What is the InChIKey of 4,5-dihydro-3aH-thieno[3,2-b]azepine?
The InChIKey is QMNLOPNUZORWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NS/c1-2-5-9-7-4-6-10-8(7)3-1/h1-4,6-7,9H,5H2.
What are the key properties of 4,5-dihydro-3aH-thieno[3,2-b]azepine?
4,5-dihydro-3aH-thieno[3,2-b]azepine has a molecular weight of 151.23 g/mol, XLogP of 1.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-3aH-thieno[3,2-b]azepine is sourced from PubChem (CID 21467132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).