Amisulpride

C₁₇H₂₇N₃O₄S — CID 2159

About Amisulpride

Amisulpride (PubChem CID 2159) has the molecular formula C₁₇H₂₇N₃O₄S and a molecular weight of 369.49 g/mol. Its IUPAC name is 4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfonyl-2-methoxybenzamide.

Molecular Properties

• Compound Name: Amisulpride
• PubChem CID: 2159
• Molecular Formula: C₁₇H₂₇N₃O₄S
• Molecular Weight: 369.49 g/mol
• Exact Mass: 369.17
• IUPAC Name: 4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfonyl-2-methoxybenzamide
• SMILES: CCN1CCCC1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC
• InChI: InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)
• InChIKey: NTJOBXMMWNYJFB-UHFFFAOYSA-N
• XLogP: 1.29
• TPSA: 101.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.49
LogP ≤ 5	1.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Amisulpride?

The IUPAC name of Amisulpride (CID 2159) is 4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfonyl-2-methoxybenzamide.

What is the SMILES notation for Amisulpride?

The canonical SMILES for Amisulpride is CCN1CCCC1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC.

What is the InChIKey of Amisulpride?

The InChIKey is NTJOBXMMWNYJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21).

What are the key properties of Amisulpride?

Amisulpride has a molecular weight of 369.49 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Amisulpride is sourced from PubChem (CID 2159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 2159 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 179 — approved-drug record (CC BY-SA 4.0)

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