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

C7H9NS — CID 123181149

IUPAC5,6,7,7a-tetrahydrothieno[2,3-c]pyridine
SMILESC1=CC2=CCNCC2S1
InChIInChI=1S/C7H9NS/c1-3-8-5-7-6(1)2-4-9-7/h1-2,4,7-8H,3,5H2
InChIKeyKCYYHWHQKHBVRX-UHFFFAOYSA-N
MW139.22 g/mol
LogP1.15
Rot. Bonds

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

5,6,7,7a-tetrahydrothieno[2,3-c]pyridine (PubChem CID 123181149) has the molecular formula C7H9NS and a molecular weight of 139.22 g/mol. Its IUPAC name is 5,6,7,7a-tetrahydrothieno[2,3-c]pyridine.

Molecular Properties

Compound Name5,6,7,7a-tetrahydrothieno[2,3-c]pyridine
PubChem CID123181149
Molecular FormulaC7H9NS
Molecular Weight139.22 g/mol
Exact Mass139.05
IUPAC Name5,6,7,7a-tetrahydrothieno[2,3-c]pyridine
SMILESC1=CC2=CCNCC2S1
InChIInChI=1S/C7H9NS/c1-3-8-5-7-6(1)2-4-9-7/h1-2,4,7-8H,3,5H2
InChIKeyKCYYHWHQKHBVRX-UHFFFAOYSA-N
XLogP1.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-Dihydrothieno[3,2-c]pyridine
CID 21958065
2,4,5,6,7,7a-Hexahydrothieno[3,2-c]pyridine
CID 56638485
5,6,7,8-tetrahydro-4H-thiopyrano[3,2-c]pyridine;hydrochloride
CID 66633422
2,3,3a,4,5,6-Hexahydrothieno[3,2-c]pyridine
CID 67415469
2,3,4,5-Tetrahydrothieno[3,2-c]pyridine
CID 69961869
3-(2,3-Dihydrothiophen-3-yl)-5-methyl-1,2,3,6-tetrahydropyridine
CID 118549058
2-methylidene-5,6,7,7a-tetrahydro-4H-thieno[3,2-c]pyridine
CID 129089016
10-Thia-2-azatricyclo[7.4.0.03,7]trideca-4,6,8-triene
CID 139910118
2,4,5,6-Tetrahydrothieno[2,3-c]pyridine
CID 141191333
5,6,7,8-tetrahydro-2H-thiopyrano[3,2-c]pyridine
CID 143138220
Ethane;3-methyl-5,6-dihydrothieno[3,2-c]pyridine
CID 163392954
2,3,3a,6,7,7a-Hexahydrothieno[2,3-b]pyridine
CID 163552001

Frequently Asked Questions

What is the IUPAC name of 5,6,7,7a-tetrahydrothieno[2,3-c]pyridine?
The IUPAC name of 5,6,7,7a-tetrahydrothieno[2,3-c]pyridine (CID 123181149) is 5,6,7,7a-tetrahydrothieno[2,3-c]pyridine.
What is the SMILES notation for 5,6,7,7a-tetrahydrothieno[2,3-c]pyridine?
The canonical SMILES for 5,6,7,7a-tetrahydrothieno[2,3-c]pyridine is C1=CC2=CCNCC2S1.
What is the InChIKey of 5,6,7,7a-tetrahydrothieno[2,3-c]pyridine?
The InChIKey is KCYYHWHQKHBVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NS/c1-3-8-5-7-6(1)2-4-9-7/h1-2,4,7-8H,3,5H2.
What are the key properties of 5,6,7,7a-tetrahydrothieno[2,3-c]pyridine?
5,6,7,7a-tetrahydrothieno[2,3-c]pyridine has a molecular weight of 139.22 g/mol, XLogP of 1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,7a-tetrahydrothieno[2,3-c]pyridine is sourced from PubChem (CID 123181149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).