Tiletamine

C₁₂H₁₇NOS — CID 26533

About Tiletamine

Tiletamine (PubChem CID 26533) has the molecular formula C₁₂H₁₇NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 2-(ethylamino)-2-thiophen-2-ylcyclohexan-1-one.

Molecular Properties

• Compound Name: Tiletamine
• PubChem CID: 26533
• Molecular Formula: C₁₂H₁₇NOS
• Molecular Weight: 223.34 g/mol
• Exact Mass: 223.10
• IUPAC Name: 2-(ethylamino)-2-thiophen-2-ylcyclohexan-1-one
• SMILES: CCNC1(c2cccs2)CCCCC1=O
• InChI: InChI=1S/C12H17NOS/c1-2-13-12(11-7-5-9-15-11)8-4-3-6-10(12)14/h5,7,9,13H,2-4,6,8H2,1H3
• InChIKey: QAXBVGVYDCAVLV-UHFFFAOYSA-N
• XLogP: 2.70
• TPSA: 29.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	223.34
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Tiletamine?

The IUPAC name of Tiletamine (CID 26533) is 2-(ethylamino)-2-thiophen-2-ylcyclohexan-1-one.

What is the SMILES notation for Tiletamine?

The canonical SMILES for Tiletamine is CCNC1(c2cccs2)CCCCC1=O.

What is the InChIKey of Tiletamine?

The InChIKey is QAXBVGVYDCAVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-2-13-12(11-7-5-9-15-11)8-4-3-6-10(12)14/h5,7,9,13H,2-4,6,8H2,1H3.

What are the key properties of Tiletamine?

Tiletamine has a molecular weight of 223.34 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Tiletamine is sourced from PubChem (CID 26533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 26533 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 5630 — approved-drug record (CC BY-SA 4.0)

How this page is built: methodology · editorial policy & corrections.