N'-methyl-2-(2-methylphenyl)-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]morpholine-4-carboximidamide;hydroiodide

C21H35IN4O4S — CID 109479700

About N'-methyl-2-(2-methylphenyl)-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]morpholine-4-carboximidamide;hydroiodide

N'-methyl-2-(2-methylphenyl)-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 109479700) has the molecular formula C21H35IN4O4S and a molecular weight of 566.51 g/mol. Its IUPAC name is N'-methyl-2-(2-methylphenyl)-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

• Compound Name: N'-methyl-2-(2-methylphenyl)-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]morpholine-4-carboximidamide;hydroiodide
• PubChem CID: 109479700
• Molecular Formula: C21H35IN4O4S
• Molecular Weight: 566.51 g/mol
• Exact Mass: 566.14
• IUPAC Name: N'-methyl-2-(2-methylphenyl)-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]morpholine-4-carboximidamide;hydroiodide
• SMILES: C/N=C(\NCCS(=O)(=O)NCC1CCCCO1)N1CCOC(c2ccccc2C)C1.I
• InChI: InChI=1S/C21H34N4O4S.HI/c1-17-7-3-4-9-19(17)20-16-25(11-13-29-20)21(22-2)23-10-14-30(26,27)24-15-18-8-5-6-12-28-18;/h3-4,7,9,18,20,24H,5-6,8,10-16H2,1-2H3,(H,22,23);1H
• InChIKey: JEIWPVPIXQRBJW-UHFFFAOYSA-N
• XLogP: 2.05
• TPSA: 92.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	566.51
LogP ≤ 5	2.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-methyl-2-(2-methylphenyl)-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]morpholine-4-carboximidamide;hydroiodide?

The IUPAC name of N'-methyl-2-(2-methylphenyl)-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]morpholine-4-carboximidamide;hydroiodide (CID 109479700) is N'-methyl-2-(2-methylphenyl)-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]morpholine-4-carboximidamide;hydroiodide.

What is the SMILES notation for N'-methyl-2-(2-methylphenyl)-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]morpholine-4-carboximidamide;hydroiodide?

The canonical SMILES for N'-methyl-2-(2-methylphenyl)-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]morpholine-4-carboximidamide;hydroiodide is C/N=C(\NCCS(=O)(=O)NCC1CCCCO1)N1CCOC(c2ccccc2C)C1.I.

What is the InChIKey of N'-methyl-2-(2-methylphenyl)-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]morpholine-4-carboximidamide;hydroiodide?

The InChIKey is JEIWPVPIXQRBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O4S.HI/c1-17-7-3-4-9-19(17)20-16-25(11-13-29-20)21(22-2)23-10-14-30(26,27)24-15-18-8-5-6-12-28-18;/h3-4,7,9,18,20,24H,5-6,8,10-16H2,1-2H3,(H,22,23);1H.

What are the key properties of N'-methyl-2-(2-methylphenyl)-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]morpholine-4-carboximidamide;hydroiodide?

N'-methyl-2-(2-methylphenyl)-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 566.51 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N'-methyl-2-(2-methylphenyl)-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 109479700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).