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

C9H11NS — CID 59499364

IUPAC2-thiophen-2-yl-2,3,4,5-tetrahydropyridine
SMILESC1=NC(c2cccs2)CCC1
InChIInChI=1S/C9H11NS/c1-2-6-10-8(4-1)9-5-3-7-11-9/h3,5-8H,1-2,4H2
InChIKeyWSYWWVQZTOHFNV-UHFFFAOYSA-N
MW165.26 g/mol
LogP3.04
Rot. Bonds1

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

2-thiophen-2-yl-2,3,4,5-tetrahydropyridine (PubChem CID 59499364) has the molecular formula C9H11NS and a molecular weight of 165.26 g/mol. Its IUPAC name is 2-thiophen-2-yl-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name2-thiophen-2-yl-2,3,4,5-tetrahydropyridine
PubChem CID59499364
Molecular FormulaC9H11NS
Molecular Weight165.26 g/mol
Exact Mass165.06
IUPAC Name2-thiophen-2-yl-2,3,4,5-tetrahydropyridine
SMILESC1=NC(c2cccs2)CCC1
InChIInChI=1S/C9H11NS/c1-2-6-10-8(4-1)9-5-3-7-11-9/h3,5-8H,1-2,4H2
InChIKeyWSYWWVQZTOHFNV-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-2,3,4,5-tetrahydropyridine?
The IUPAC name of 2-thiophen-2-yl-2,3,4,5-tetrahydropyridine (CID 59499364) is 2-thiophen-2-yl-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 2-thiophen-2-yl-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 2-thiophen-2-yl-2,3,4,5-tetrahydropyridine is C1=NC(c2cccs2)CCC1.
What is the InChIKey of 2-thiophen-2-yl-2,3,4,5-tetrahydropyridine?
The InChIKey is WSYWWVQZTOHFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NS/c1-2-6-10-8(4-1)9-5-3-7-11-9/h3,5-8H,1-2,4H2.
What are the key properties of 2-thiophen-2-yl-2,3,4,5-tetrahydropyridine?
2-thiophen-2-yl-2,3,4,5-tetrahydropyridine has a molecular weight of 165.26 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 59499364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).