thiopyrano[2,3-c]azepine

C9H7NS — CID 141202666

IUPACthiopyrano[2,3-c]azepine
SMILESC1=CSC2=CN=CC=CC2=C1
InChIInChI=1S/C9H7NS/c1-3-8-4-2-6-11-9(8)7-10-5-1/h1-7H
InChIKeyURPNJPGQTZEAPH-UHFFFAOYSA-N
MW161.23 g/mol
LogP2.66
Rot. Bonds

About thiopyrano[2,3-c]azepine

thiopyrano[2,3-c]azepine (PubChem CID 141202666) has the molecular formula C9H7NS and a molecular weight of 161.23 g/mol. Its IUPAC name is thiopyrano[2,3-c]azepine.

Molecular Properties

Compound Namethiopyrano[2,3-c]azepine
PubChem CID141202666
Molecular FormulaC9H7NS
Molecular Weight161.23 g/mol
Exact Mass161.03
IUPAC Namethiopyrano[2,3-c]azepine
SMILESC1=CSC2=CN=CC=CC2=C1
InChIInChI=1S/C9H7NS/c1-3-8-4-2-6-11-9(8)7-10-5-1/h1-7H
InChIKeyURPNJPGQTZEAPH-UHFFFAOYSA-N
XLogP2.66
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3H-thiophen-3-id-2-yl)-2H-pyridin-2-ide;yttrium
CID 58813750
2H-thieno[2,3-c]azepine
CID 66621567
2H-thieno[2,3-d]azepine
CID 67205879
3H-thieno[3,4-d]azepine
CID 67753477
2-(Cyclohexen-1-yl)-1,4-thiazepine
CID 68637312
2H-thieno[3,2-c]azepine
CID 70463907
5H-thieno[2,3-c]azepine
CID 90974805
2-(Cyclohexen-1-ylmethyl)-1,4-thiazepine
CID 91268173
2H-thieno[3,2-i][1]benzazepine
CID 121416106
2-(2-but-2-enylidenethiophen-3-ylidene)-N-methylethanimine
CID 123368043
(3aZ,7Z,9E)-thieno[3,2-c]azocine
CID 139776980
3-Thia-14-azatricyclo[8.4.0.02,6]tetradeca-1,5,7,9,11,13-hexaene
CID 140563927

Frequently Asked Questions

What is the IUPAC name of thiopyrano[2,3-c]azepine?
The IUPAC name of thiopyrano[2,3-c]azepine (CID 141202666) is thiopyrano[2,3-c]azepine.
What is the SMILES notation for thiopyrano[2,3-c]azepine?
The canonical SMILES for thiopyrano[2,3-c]azepine is C1=CSC2=CN=CC=CC2=C1.
What is the InChIKey of thiopyrano[2,3-c]azepine?
The InChIKey is URPNJPGQTZEAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NS/c1-3-8-4-2-6-11-9(8)7-10-5-1/h1-7H.
What are the key properties of thiopyrano[2,3-c]azepine?
thiopyrano[2,3-c]azepine has a molecular weight of 161.23 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for thiopyrano[2,3-c]azepine is sourced from PubChem (CID 141202666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).