5-(5-methylthiophen-3-yl)-1,2,3,6-tetrahydropyridine

C10H13NS — CID 130506700

IUPAC5-(5-methylthiophen-3-yl)-1,2,3,6-tetrahydropyridine
SMILESCc1cc(C2=CCCNC2)cs1
InChIInChI=1S/C10H13NS/c1-8-5-10(7-12-8)9-3-2-4-11-6-9/h3,5,7,11H,2,4,6H2,1H3
InChIKeyVBNRMIRNGBAXSO-UHFFFAOYSA-N
MW179.29 g/mol
LogP2.43
Rot. Bonds1

About 5-(5-methylthiophen-3-yl)-1,2,3,6-tetrahydropyridine

5-(5-methylthiophen-3-yl)-1,2,3,6-tetrahydropyridine (PubChem CID 130506700) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is 5-(5-methylthiophen-3-yl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name5-(5-methylthiophen-3-yl)-1,2,3,6-tetrahydropyridine
PubChem CID130506700
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC Name5-(5-methylthiophen-3-yl)-1,2,3,6-tetrahydropyridine
SMILESCc1cc(C2=CCCNC2)cs1
InChIInChI=1S/C10H13NS/c1-8-5-10(7-12-8)9-3-2-4-11-6-9/h3,5,7,11H,2,4,6H2,1H3
InChIKeyVBNRMIRNGBAXSO-UHFFFAOYSA-N
XLogP2.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Methiopropamine
CID 436156
Methyl[(3-methylthiophen-2-yl)methyl]amine hydrochloride
CID 16187615
2-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 1817785
Tifacogin
CID 961320
Benzyl(1-(thiophen-2-yl)propan-2-yl)amine
CID 4868418
4,5,6,7-Tetrahydrothieno(3,2-c)pyridine
CID 3085076
7-methyl-4H,5H,6H,7H-thieno(2,3-c)pyridine
CID 14548169
N-methyl-1-(2-thiophen-2-ylphenyl)methanamine
CID 7060565
N-[(3-methylthiophen-2-yl)methyl]cyclohexanamine
CID 4721499
Phenethyl-thiophen-2-ylmethyl-amine hydrochloride
CID 24746854
N-benzylthiophene-2-carbothioamide
CID 5298964
2-Methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 18377285

Frequently Asked Questions

What is the IUPAC name of 5-(5-methylthiophen-3-yl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 5-(5-methylthiophen-3-yl)-1,2,3,6-tetrahydropyridine (CID 130506700) is 5-(5-methylthiophen-3-yl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 5-(5-methylthiophen-3-yl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 5-(5-methylthiophen-3-yl)-1,2,3,6-tetrahydropyridine is Cc1cc(C2=CCCNC2)cs1.
What is the InChIKey of 5-(5-methylthiophen-3-yl)-1,2,3,6-tetrahydropyridine?
The InChIKey is VBNRMIRNGBAXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NS/c1-8-5-10(7-12-8)9-3-2-4-11-6-9/h3,5,7,11H,2,4,6H2,1H3.
What are the key properties of 5-(5-methylthiophen-3-yl)-1,2,3,6-tetrahydropyridine?
5-(5-methylthiophen-3-yl)-1,2,3,6-tetrahydropyridine has a molecular weight of 179.29 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylthiophen-3-yl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 130506700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).