3-(2,3-dihydrothiophen-3-yl)-5-methyl-1,2,3,6-tetrahydropyridine

C10H15NS — CID 118549058

IUPAC3-(2,3-dihydrothiophen-3-yl)-5-methyl-1,2,3,6-tetrahydropyridine
SMILESCC1=CC(C2C=CSC2)CNC1
InChIInChI=1S/C10H15NS/c1-8-4-10(6-11-5-8)9-2-3-12-7-9/h2-4,9-11H,5-7H2,1H3
InChIKeyAYDBAIPURYOGGX-UHFFFAOYSA-N
MW181.30 g/mol
LogP2.03
Rot. Bonds1

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

3-(2,3-dihydrothiophen-3-yl)-5-methyl-1,2,3,6-tetrahydropyridine (PubChem CID 118549058) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is 3-(2,3-dihydrothiophen-3-yl)-5-methyl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name3-(2,3-dihydrothiophen-3-yl)-5-methyl-1,2,3,6-tetrahydropyridine
PubChem CID118549058
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name3-(2,3-dihydrothiophen-3-yl)-5-methyl-1,2,3,6-tetrahydropyridine
SMILESCC1=CC(C2C=CSC2)CNC1
InChIInChI=1S/C10H15NS/c1-8-4-10(6-11-5-8)9-2-3-12-7-9/h2-4,9-11H,5-7H2,1H3
InChIKeyAYDBAIPURYOGGX-UHFFFAOYSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydrothiophen-3-yl)-5-methyl-1,2,3,6-tetrahydropyridine?
The IUPAC name of 3-(2,3-dihydrothiophen-3-yl)-5-methyl-1,2,3,6-tetrahydropyridine (CID 118549058) is 3-(2,3-dihydrothiophen-3-yl)-5-methyl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 3-(2,3-dihydrothiophen-3-yl)-5-methyl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 3-(2,3-dihydrothiophen-3-yl)-5-methyl-1,2,3,6-tetrahydropyridine is CC1=CC(C2C=CSC2)CNC1.
What is the InChIKey of 3-(2,3-dihydrothiophen-3-yl)-5-methyl-1,2,3,6-tetrahydropyridine?
The InChIKey is AYDBAIPURYOGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS/c1-8-4-10(6-11-5-8)9-2-3-12-7-9/h2-4,9-11H,5-7H2,1H3.
What are the key properties of 3-(2,3-dihydrothiophen-3-yl)-5-methyl-1,2,3,6-tetrahydropyridine?
3-(2,3-dihydrothiophen-3-yl)-5-methyl-1,2,3,6-tetrahydropyridine has a molecular weight of 181.30 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydrothiophen-3-yl)-5-methyl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 118549058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).