2-methyl-4-thiophen-2-yl-1,2,3,6-tetrahydropyridine

C10H13NS — CID 69191672

IUPAC2-methyl-4-thiophen-2-yl-1,2,3,6-tetrahydropyridine
SMILESCC1CC(c2cccs2)=CCN1
InChIInChI=1S/C10H13NS/c1-8-7-9(4-5-11-8)10-3-2-6-12-10/h2-4,6,8,11H,5,7H2,1H3
InChIKeyOFZNLSVJQOESMF-UHFFFAOYSA-N
MW179.29 g/mol
LogP2.51
Rot. Bonds1

About 2-methyl-4-thiophen-2-yl-1,2,3,6-tetrahydropyridine

2-methyl-4-thiophen-2-yl-1,2,3,6-tetrahydropyridine (PubChem CID 69191672) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is 2-methyl-4-thiophen-2-yl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name2-methyl-4-thiophen-2-yl-1,2,3,6-tetrahydropyridine
PubChem CID69191672
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC Name2-methyl-4-thiophen-2-yl-1,2,3,6-tetrahydropyridine
SMILESCC1CC(c2cccs2)=CCN1
InChIInChI=1S/C10H13NS/c1-8-7-9(4-5-11-8)10-3-2-6-12-10/h2-4,6,8,11H,5,7H2,1H3
InChIKeyOFZNLSVJQOESMF-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)ethylsulfanylmethyl]-1H-indole
CID 19848959
7-bromo-3-[4-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole
CID 19848943
5,6-dichloro-3-[4-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole
CID 19848911
3-[4-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indol-6-ol
CID 19848882
6-methyl-4-thiophen-2-ylcyclohexa-1,3-diene-1-carbaldehyde
CID 24859406
3-[5-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)pent-1-ynyl]quinoline
CID 67869859
(3aS,6aR)-5-thiophen-2-yl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole
CID 90224764
2-(cyclohexen-1-yl)thiophene;N-methylmethanamine
CID 142891098
2-methyl-4-thiophen-2-yl-2,3-dihydroinden-1-one
CID 22173067
2-(1,1-dimethyl-2,2-dithiophen-2-yl-1-phosphonia-2-boranuidacyclopent-3-en-3-yl)thiophene
CID 58159738
5-[(2S,4S)-2-methylpiperidin-4-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 120835592
5-(2-methylpiperidin-4-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 106743244

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-thiophen-2-yl-1,2,3,6-tetrahydropyridine?
The IUPAC name of 2-methyl-4-thiophen-2-yl-1,2,3,6-tetrahydropyridine (CID 69191672) is 2-methyl-4-thiophen-2-yl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 2-methyl-4-thiophen-2-yl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 2-methyl-4-thiophen-2-yl-1,2,3,6-tetrahydropyridine is CC1CC(c2cccs2)=CCN1.
What is the InChIKey of 2-methyl-4-thiophen-2-yl-1,2,3,6-tetrahydropyridine?
The InChIKey is OFZNLSVJQOESMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NS/c1-8-7-9(4-5-11-8)10-3-2-6-12-10/h2-4,6,8,11H,5,7H2,1H3.
What are the key properties of 2-methyl-4-thiophen-2-yl-1,2,3,6-tetrahydropyridine?
2-methyl-4-thiophen-2-yl-1,2,3,6-tetrahydropyridine has a molecular weight of 179.29 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-thiophen-2-yl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 69191672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).