Metixene

C₂₀H₂₃NS — CID 4167

About Metixene

Metixene (PubChem CID 4167) has the molecular formula C₂₀H₂₃NS and a molecular weight of 309.48 g/mol. Its IUPAC name is 1-methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine.

Molecular Properties

• Compound Name: Metixene
• PubChem CID: 4167
• Molecular Formula: C₂₀H₂₃NS
• Molecular Weight: 309.48 g/mol
• Exact Mass: 309.16
• IUPAC Name: 1-methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine
• SMILES: CN1CCCC(CC2c3ccccc3Sc3ccccc32)C1
• InChI: InChI=1S/C20H23NS/c1-21-12-6-7-15(14-21)13-18-16-8-2-4-10-19(16)22-20-11-5-3-9-17(18)20/h2-5,8-11,15,18H,6-7,12-14H2,1H3
• InChIKey: MJFJKKXQDNNUJF-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 3.24 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	309.48
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of Metixene?

The IUPAC name of Metixene (CID 4167) is 1-methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine.

What is the SMILES notation for Metixene?

The canonical SMILES for Metixene is CN1CCCC(CC2c3ccccc3Sc3ccccc32)C1.

What is the InChIKey of Metixene?

The InChIKey is MJFJKKXQDNNUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NS/c1-21-12-6-7-15(14-21)13-18-16-8-2-4-10-19(16)22-20-11-5-3-9-17(18)20/h2-5,8-11,15,18H,6-7,12-14H2,1H3.

What are the key properties of Metixene?

Metixene has a molecular weight of 309.48 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Metixene is sourced from PubChem (CID 4167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 4167 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1780 — approved-drug record (CC BY-SA 4.0)

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