thiepino[4,5-c]pyridine

C9H7NS — CID 21315519

IUPACthiepino[4,5-c]pyridine
SMILESC1=Cc2ccncc2C=CS1
InChIInChI=1S/C9H7NS/c1-4-10-7-9-3-6-11-5-2-8(1)9/h1-7H
InChIKeyNQZANEQMWNEWHF-UHFFFAOYSA-N
MW161.23 g/mol
LogP2.77
Rot. Bonds

About thiepino[4,5-c]pyridine

thiepino[4,5-c]pyridine (PubChem CID 21315519) has the molecular formula C9H7NS and a molecular weight of 161.23 g/mol. Its IUPAC name is thiepino[4,5-c]pyridine.

Molecular Properties

Compound Namethiepino[4,5-c]pyridine
PubChem CID21315519
Molecular FormulaC9H7NS
Molecular Weight161.23 g/mol
Exact Mass161.03
IUPAC Namethiepino[4,5-c]pyridine
SMILESC1=Cc2ccncc2C=CS1
InChIInChI=1S/C9H7NS/c1-4-10-7-9-3-6-11-5-2-8(1)9/h1-7H
InChIKeyNQZANEQMWNEWHF-UHFFFAOYSA-N
XLogP2.77
TPSA12.89 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 ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of thiepino[4,5-c]pyridine?
The IUPAC name of thiepino[4,5-c]pyridine (CID 21315519) is thiepino[4,5-c]pyridine.
What is the SMILES notation for thiepino[4,5-c]pyridine?
The canonical SMILES for thiepino[4,5-c]pyridine is C1=Cc2ccncc2C=CS1.
What is the InChIKey of thiepino[4,5-c]pyridine?
The InChIKey is NQZANEQMWNEWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NS/c1-4-10-7-9-3-6-11-5-2-8(1)9/h1-7H.
What are the key properties of thiepino[4,5-c]pyridine?
thiepino[4,5-c]pyridine has a molecular weight of 161.23 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for thiepino[4,5-c]pyridine is sourced from PubChem (CID 21315519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).