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

C₁₀H₁₅NS — CID 118549058

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 Name: 3-(2,3-dihydrothiophen-3-yl)-5-methyl-1,2,3,6-tetrahydropyridine
• PubChem CID: 118549058
• Molecular Formula: C₁₀H₁₅NS
• Molecular Weight: 181.30 g/mol
• Exact Mass: 181.09
• IUPAC Name: 3-(2,3-dihydrothiophen-3-yl)-5-methyl-1,2,3,6-tetrahydropyridine
• SMILES: CC1=CC(C2C=CSC2)CNC1
• InChI: InChI=1S/C10H15NS/c1-8-4-10(6-11-5-8)9-2-3-12-7-9/h2-4,9-11H,5-7H2,1H3
• InChIKey: AYDBAIPURYOGGX-UHFFFAOYSA-N
• XLogP: 2.03
• TPSA: 12.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	181.30
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

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).

Sources

• PubChem CID 118549058 — identifiers, structure, computed properties (public domain)

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