Sulcaine

C₁₆H₂₂N₂O₃ — CID 3300

About Sulcaine

Sulcaine (PubChem CID 3300) has the molecular formula C₁₆H₂₂N₂O₃ and a molecular weight of 290.36 g/mol. Its IUPAC name is ethyl 4-[(2-piperidin-1-ylacetyl)amino]benzoate.

Molecular Properties

• Compound Name: Sulcaine
• PubChem CID: 3300
• Molecular Formula: C₁₆H₂₂N₂O₃
• Molecular Weight: 290.36 g/mol
• Exact Mass: 290.16
• IUPAC Name: ethyl 4-[(2-piperidin-1-ylacetyl)amino]benzoate
• SMILES: CCOC(=O)c1ccc(NC(=O)CN2CCCCC2)cc1
• InChI: InChI=1S/C16H22N2O3/c1-2-21-16(20)13-6-8-14(9-7-13)17-15(19)12-18-10-4-3-5-11-18/h6-9H,2-5,10-12H2,1H3,(H,17,19)
• InChIKey: QLGIFPJNYPWBMQ-UHFFFAOYSA-N
• XLogP: 2.29
• TPSA: 58.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	290.36
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Sulcaine?

The IUPAC name of Sulcaine (CID 3300) is ethyl 4-[(2-piperidin-1-ylacetyl)amino]benzoate.

What is the SMILES notation for Sulcaine?

The canonical SMILES for Sulcaine is CCOC(=O)c1ccc(NC(=O)CN2CCCCC2)cc1.

What is the InChIKey of Sulcaine?

The InChIKey is QLGIFPJNYPWBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-21-16(20)13-6-8-14(9-7-13)17-15(19)12-18-10-4-3-5-11-18/h6-9H,2-5,10-12H2,1H3,(H,17,19).

What are the key properties of Sulcaine?

Sulcaine has a molecular weight of 290.36 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Sulcaine is sourced from PubChem (CID 3300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 3300 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1020 — approved-drug record (CC BY-SA 4.0)

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