Amidephrine

C₁₀H₁₆N₂O₃S — CID 15010

About Amidephrine

Amidephrine (PubChem CID 15010) has the molecular formula C₁₀H₁₆N₂O₃S and a molecular weight of 244.32 g/mol. Its IUPAC name is N-[3-[1-hydroxy-2-(methylamino)ethyl]phenyl]methanesulfonamide.

Molecular Properties

• Compound Name: Amidephrine
• PubChem CID: 15010
• Molecular Formula: C₁₀H₁₆N₂O₃S
• Molecular Weight: 244.32 g/mol
• Exact Mass: 244.09
• IUPAC Name: N-[3-[1-hydroxy-2-(methylamino)ethyl]phenyl]methanesulfonamide
• SMILES: CNCC(O)c1cccc(NS(C)(=O)=O)c1
• InChI: InChI=1S/C10H16N2O3S/c1-11-7-10(13)8-4-3-5-9(6-8)12-16(2,14)15/h3-6,10-13H,7H2,1-2H3
• InChIKey: ZHOWHMXTJFZXRB-UHFFFAOYSA-N
• XLogP: 0.31
• TPSA: 78.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	244.32
LogP ≤ 5	0.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Amidephrine?

The IUPAC name of Amidephrine (CID 15010) is N-[3-[1-hydroxy-2-(methylamino)ethyl]phenyl]methanesulfonamide.

What is the SMILES notation for Amidephrine?

The canonical SMILES for Amidephrine is CNCC(O)c1cccc(NS(C)(=O)=O)c1.

What is the InChIKey of Amidephrine?

The InChIKey is ZHOWHMXTJFZXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-11-7-10(13)8-4-3-5-9(6-8)12-16(2,14)15/h3-6,10-13H,7H2,1-2H3.

What are the key properties of Amidephrine?

Amidephrine has a molecular weight of 244.32 g/mol, XLogP of 0.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Amidephrine is sourced from PubChem (CID 15010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 15010 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 155 — approved-drug record (CC BY-SA 4.0)

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