3a,6,7,7a-tetrahydrothieno[3,2-c]pyridine

C7H9NS — CID 57291918

IUPAC3a,6,7,7a-tetrahydrothieno[3,2-c]pyridine
SMILESC1=CC2C=NCCC2S1
InChIInChI=1S/C7H9NS/c1-3-8-5-6-2-4-9-7(1)6/h2,4-7H,1,3H2
InChIKeyASMGMXGVOORZGM-UHFFFAOYSA-N
MW139.22 g/mol
LogP1.71
Rot. Bonds

About 3a,6,7,7a-tetrahydrothieno[3,2-c]pyridine

3a,6,7,7a-tetrahydrothieno[3,2-c]pyridine (PubChem CID 57291918) has the molecular formula C7H9NS and a molecular weight of 139.22 g/mol. Its IUPAC name is 3a,6,7,7a-tetrahydrothieno[3,2-c]pyridine.

Molecular Properties

Compound Name3a,6,7,7a-tetrahydrothieno[3,2-c]pyridine
PubChem CID57291918
Molecular FormulaC7H9NS
Molecular Weight139.22 g/mol
Exact Mass139.05
IUPAC Name3a,6,7,7a-tetrahydrothieno[3,2-c]pyridine
SMILESC1=CC2C=NCCC2S1
InChIInChI=1S/C7H9NS/c1-3-8-5-6-2-4-9-7(1)6/h2,4-7H,1,3H2
InChIKeyASMGMXGVOORZGM-UHFFFAOYSA-N
XLogP1.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3a,4,7,7a-Tetrahydrothieno[2,3-c]pyridine
CID 20194044
3a,4,7,7a-Tetrahydrothieno[3,2-c]pyridine
CID 21666240
3a,4,5,7a-Tetrahydrothieno[2,3-c]pyridine
CID 53918127
4-Methyl-3a,4,7,7a-tetrahydrothieno[3,2-c]pyridine
CID 67100453
3a,4,5,7a-Tetrahydrothieno[2,3-b]pyridine
CID 91484382
3a,4,7,7a-Tetrahydrothieno[3,2-c]pyridine;hydrochloride
CID 118898646
3a,4-Dihydrothieno[2,3-c]pyridine
CID 166882822
3a,4,5,6-Tetrahydrothieno[2,3-b]pyridine
CID 166882884
3a,4,7,7a-Tetrahydrothieno[3,2-c]pyridin-5-ium
CID 173078742

Frequently Asked Questions

What is the IUPAC name of 3a,6,7,7a-tetrahydrothieno[3,2-c]pyridine?
The IUPAC name of 3a,6,7,7a-tetrahydrothieno[3,2-c]pyridine (CID 57291918) is 3a,6,7,7a-tetrahydrothieno[3,2-c]pyridine.
What is the SMILES notation for 3a,6,7,7a-tetrahydrothieno[3,2-c]pyridine?
The canonical SMILES for 3a,6,7,7a-tetrahydrothieno[3,2-c]pyridine is C1=CC2C=NCCC2S1.
What is the InChIKey of 3a,6,7,7a-tetrahydrothieno[3,2-c]pyridine?
The InChIKey is ASMGMXGVOORZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NS/c1-3-8-5-6-2-4-9-7(1)6/h2,4-7H,1,3H2.
What are the key properties of 3a,6,7,7a-tetrahydrothieno[3,2-c]pyridine?
3a,6,7,7a-tetrahydrothieno[3,2-c]pyridine has a molecular weight of 139.22 g/mol, XLogP of 1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,6,7,7a-tetrahydrothieno[3,2-c]pyridine is sourced from PubChem (CID 57291918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).