Tiemonium

C₁₈H₂₄NO₂S+ — CID 5473

About Tiemonium

Tiemonium (PubChem CID 5473) has the molecular formula C₁₈H₂₄NO₂S+ and a molecular weight of 318.46 g/mol. Its IUPAC name is 3-(4-methylmorpholin-4-ium-4-yl)-1-phenyl-1-thiophen-2-ylpropan-1-ol.

Molecular Properties

• Compound Name: Tiemonium
• PubChem CID: 5473
• Molecular Formula: C₁₈H₂₄NO₂S+
• Molecular Weight: 318.46 g/mol
• Exact Mass: 318.15
• IUPAC Name: 3-(4-methylmorpholin-4-ium-4-yl)-1-phenyl-1-thiophen-2-ylpropan-1-ol
• SMILES: C[N+]1(CCC(O)(c2ccccc2)c2cccs2)CCOCC1
• InChI: InChI=1S/C18H24NO2S/c1-19(11-13-21-14-12-19)10-9-18(20,17-8-5-15-22-17)16-6-3-2-4-7-16/h2-8,15,20H,9-14H2,1H3/q+1
• InChIKey: HJDYAOBDPZQHOD-UHFFFAOYSA-N
• XLogP: 2.85
• TPSA: 29.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	318.46
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Tiemonium?

The IUPAC name of Tiemonium (CID 5473) is 3-(4-methylmorpholin-4-ium-4-yl)-1-phenyl-1-thiophen-2-ylpropan-1-ol.

What is the SMILES notation for Tiemonium?

The canonical SMILES for Tiemonium is C[N+]1(CCC(O)(c2ccccc2)c2cccs2)CCOCC1.

What is the InChIKey of Tiemonium?

The InChIKey is HJDYAOBDPZQHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24NO2S/c1-19(11-13-21-14-12-19)10-9-18(20,17-8-5-15-22-17)16-6-3-2-4-7-16/h2-8,15,20H,9-14H2,1H3/q+1.

What are the key properties of Tiemonium?

Tiemonium has a molecular weight of 318.46 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Tiemonium is sourced from PubChem (CID 5473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5473 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2660 — approved-drug record (CC BY-SA 4.0)

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