1-thiophen-2-yl-3,4-dihydro-2H-pyridine

C9H11NS — CID 70043162

IUPAC1-thiophen-2-yl-3,4-dihydro-2H-pyridine
SMILESC1=CN(c2cccs2)CCC1
InChIInChI=1S/C9H11NS/c1-2-6-10(7-3-1)9-5-4-8-11-9/h2,4-6,8H,1,3,7H2
InChIKeyOTJJPUDIXXXELO-UHFFFAOYSA-N
MW165.26 g/mol
LogP2.86
Rot. Bonds1

About 1-thiophen-2-yl-3,4-dihydro-2H-pyridine

1-thiophen-2-yl-3,4-dihydro-2H-pyridine (PubChem CID 70043162) has the molecular formula C9H11NS and a molecular weight of 165.26 g/mol. Its IUPAC name is 1-thiophen-2-yl-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-thiophen-2-yl-3,4-dihydro-2H-pyridine
PubChem CID70043162
Molecular FormulaC9H11NS
Molecular Weight165.26 g/mol
Exact Mass165.06
IUPAC Name1-thiophen-2-yl-3,4-dihydro-2H-pyridine
SMILESC1=CN(c2cccs2)CCC1
InChIInChI=1S/C9H11NS/c1-2-6-10(7-3-1)9-5-4-8-11-9/h2,4-6,8H,1,3,7H2
InChIKeyOTJJPUDIXXXELO-UHFFFAOYSA-N
XLogP2.86
TPSA3.24 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 ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-yl-3,4-dihydro-2H-pyridine?
The IUPAC name of 1-thiophen-2-yl-3,4-dihydro-2H-pyridine (CID 70043162) is 1-thiophen-2-yl-3,4-dihydro-2H-pyridine.
What is the SMILES notation for 1-thiophen-2-yl-3,4-dihydro-2H-pyridine?
The canonical SMILES for 1-thiophen-2-yl-3,4-dihydro-2H-pyridine is C1=CN(c2cccs2)CCC1.
What is the InChIKey of 1-thiophen-2-yl-3,4-dihydro-2H-pyridine?
The InChIKey is OTJJPUDIXXXELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NS/c1-2-6-10(7-3-1)9-5-4-8-11-9/h2,4-6,8H,1,3,7H2.
What are the key properties of 1-thiophen-2-yl-3,4-dihydro-2H-pyridine?
1-thiophen-2-yl-3,4-dihydro-2H-pyridine has a molecular weight of 165.26 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-yl-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 70043162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).