2,4,5,6,7,7a-hexahydrothieno[3,2-c]pyridine

C7H11NS — CID 56638485

IUPAC2,4,5,6,7,7a-hexahydrothieno[3,2-c]pyridine
SMILESC1=C2CNCCC2SC1
InChIInChI=1S/C7H11NS/c1-3-8-5-6-2-4-9-7(1)6/h2,7-8H,1,3-5H2
InChIKeyCASNGLWJDLMRGI-UHFFFAOYSA-N
MW141.24 g/mol
LogP1.02
Rot. Bonds

About 2,4,5,6,7,7a-hexahydrothieno[3,2-c]pyridine

2,4,5,6,7,7a-hexahydrothieno[3,2-c]pyridine (PubChem CID 56638485) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is 2,4,5,6,7,7a-hexahydrothieno[3,2-c]pyridine.

Molecular Properties

Compound Name2,4,5,6,7,7a-hexahydrothieno[3,2-c]pyridine
PubChem CID56638485
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name2,4,5,6,7,7a-hexahydrothieno[3,2-c]pyridine
SMILESC1=C2CNCCC2SC1
InChIInChI=1S/C7H11NS/c1-3-8-5-6-2-4-9-7(1)6/h2,7-8H,1,3-5H2
InChIKeyCASNGLWJDLMRGI-UHFFFAOYSA-N
XLogP1.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4,5,6,7,7a-hexahydrothieno[3,2-c]pyridine?
The IUPAC name of 2,4,5,6,7,7a-hexahydrothieno[3,2-c]pyridine (CID 56638485) is 2,4,5,6,7,7a-hexahydrothieno[3,2-c]pyridine.
What is the SMILES notation for 2,4,5,6,7,7a-hexahydrothieno[3,2-c]pyridine?
The canonical SMILES for 2,4,5,6,7,7a-hexahydrothieno[3,2-c]pyridine is C1=C2CNCCC2SC1.
What is the InChIKey of 2,4,5,6,7,7a-hexahydrothieno[3,2-c]pyridine?
The InChIKey is CASNGLWJDLMRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c1-3-8-5-6-2-4-9-7(1)6/h2,7-8H,1,3-5H2.
What are the key properties of 2,4,5,6,7,7a-hexahydrothieno[3,2-c]pyridine?
2,4,5,6,7,7a-hexahydrothieno[3,2-c]pyridine has a molecular weight of 141.24 g/mol, XLogP of 1.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5,6,7,7a-hexahydrothieno[3,2-c]pyridine is sourced from PubChem (CID 56638485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).