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

C7H11NS — CID 89006790

IUPAC2,3,4,5,6,7-hexahydrothieno[3,2-c]pyridine
SMILESC1CC2=C(CCS2)CN1
InChIInChI=1S/C7H11NS/c1-3-8-5-6-2-4-9-7(1)6/h8H,1-5H2
InChIKeyLYNNABWJIZVWAA-UHFFFAOYSA-N
MW141.24 g/mol
LogP1.37
Rot. Bonds

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

2,3,4,5,6,7-hexahydrothieno[3,2-c]pyridine (PubChem CID 89006790) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is 2,3,4,5,6,7-hexahydrothieno[3,2-c]pyridine.

Molecular Properties

Compound Name2,3,4,5,6,7-hexahydrothieno[3,2-c]pyridine
PubChem CID89006790
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name2,3,4,5,6,7-hexahydrothieno[3,2-c]pyridine
SMILESC1CC2=C(CCS2)CN1
InChIInChI=1S/C7H11NS/c1-3-8-5-6-2-4-9-7(1)6/h8H,1-5H2
InChIKeyLYNNABWJIZVWAA-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6,7-hexahydrothieno[3,2-c]pyridine?
The IUPAC name of 2,3,4,5,6,7-hexahydrothieno[3,2-c]pyridine (CID 89006790) is 2,3,4,5,6,7-hexahydrothieno[3,2-c]pyridine.
What is the SMILES notation for 2,3,4,5,6,7-hexahydrothieno[3,2-c]pyridine?
The canonical SMILES for 2,3,4,5,6,7-hexahydrothieno[3,2-c]pyridine is C1CC2=C(CCS2)CN1.
What is the InChIKey of 2,3,4,5,6,7-hexahydrothieno[3,2-c]pyridine?
The InChIKey is LYNNABWJIZVWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c1-3-8-5-6-2-4-9-7(1)6/h8H,1-5H2.
What are the key properties of 2,3,4,5,6,7-hexahydrothieno[3,2-c]pyridine?
2,3,4,5,6,7-hexahydrothieno[3,2-c]pyridine has a molecular weight of 141.24 g/mol, XLogP of 1.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,7-hexahydrothieno[3,2-c]pyridine is sourced from PubChem (CID 89006790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).