Sibutramine

C₁₇H₂₆ClN — CID 5210

About Sibutramine

Sibutramine (PubChem CID 5210) has the molecular formula C₁₇H₂₆ClN and a molecular weight of 279.86 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine.

Molecular Properties

• Compound Name: Sibutramine
• PubChem CID: 5210
• Molecular Formula: C₁₇H₂₆ClN
• Molecular Weight: 279.86 g/mol
• Exact Mass: 279.18
• IUPAC Name: 1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine
• SMILES: CC(C)CC(N(C)C)C1(c2ccc(Cl)cc2)CCC1
• InChI: InChI=1S/C17H26ClN/c1-13(2)12-16(19(3)4)17(10-5-11-17)14-6-8-15(18)9-7-14/h6-9,13,16H,5,10-12H2,1-4H3
• InChIKey: UNAANXDKBXWMLN-UHFFFAOYSA-N
• XLogP: 4.74
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	279.86
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of Sibutramine?

The IUPAC name of Sibutramine (CID 5210) is 1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine.

What is the SMILES notation for Sibutramine?

The canonical SMILES for Sibutramine is CC(C)CC(N(C)C)C1(c2ccc(Cl)cc2)CCC1.

What is the InChIKey of Sibutramine?

The InChIKey is UNAANXDKBXWMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN/c1-13(2)12-16(19(3)4)17(10-5-11-17)14-6-8-15(18)9-7-14/h6-9,13,16H,5,10-12H2,1-4H3.

What are the key properties of Sibutramine?

Sibutramine has a molecular weight of 279.86 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Sibutramine is sourced from PubChem (CID 5210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5210 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2440 — approved-drug record (CC BY-SA 4.0)

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