6-thiophen-2-yl-2,3,4,5-tetrahydropyridine

C9H11NS — CID 12009047

IUPAC6-thiophen-2-yl-2,3,4,5-tetrahydropyridine
SMILESc1csc(C2=NCCCC2)c1
InChIInChI=1S/C9H11NS/c1-2-6-10-8(4-1)9-5-3-7-11-9/h3,5,7H,1-2,4,6H2
InChIKeyVRLQLBABYKISJC-UHFFFAOYSA-N
MW165.26 g/mol
LogP2.72
Rot. Bonds1

About 6-thiophen-2-yl-2,3,4,5-tetrahydropyridine

6-thiophen-2-yl-2,3,4,5-tetrahydropyridine (PubChem CID 12009047) has the molecular formula C9H11NS and a molecular weight of 165.26 g/mol. Its IUPAC name is 6-thiophen-2-yl-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name6-thiophen-2-yl-2,3,4,5-tetrahydropyridine
PubChem CID12009047
Molecular FormulaC9H11NS
Molecular Weight165.26 g/mol
Exact Mass165.06
IUPAC Name6-thiophen-2-yl-2,3,4,5-tetrahydropyridine
SMILESc1csc(C2=NCCCC2)c1
InChIInChI=1S/C9H11NS/c1-2-6-10-8(4-1)9-5-3-7-11-9/h3,5,7H,1-2,4,6H2
InChIKeyVRLQLBABYKISJC-UHFFFAOYSA-N
XLogP2.72
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-thiophen-2-yl-2,3,4,5-tetrahydropyridine?
The IUPAC name of 6-thiophen-2-yl-2,3,4,5-tetrahydropyridine (CID 12009047) is 6-thiophen-2-yl-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 6-thiophen-2-yl-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 6-thiophen-2-yl-2,3,4,5-tetrahydropyridine is c1csc(C2=NCCCC2)c1.
What is the InChIKey of 6-thiophen-2-yl-2,3,4,5-tetrahydropyridine?
The InChIKey is VRLQLBABYKISJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NS/c1-2-6-10-8(4-1)9-5-3-7-11-9/h3,5,7H,1-2,4,6H2.
What are the key properties of 6-thiophen-2-yl-2,3,4,5-tetrahydropyridine?
6-thiophen-2-yl-2,3,4,5-tetrahydropyridine has a molecular weight of 165.26 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-thiophen-2-yl-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 12009047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).