1-ethyl-2-[2-(2-methylphenoxy)propyl]-3-(2-sulfamoylethyl)guanidine;hydroiodide

C15H27IN4O3S — CID 111686291

IUPAC1-ethyl-2-[2-(2-methylphenoxy)propyl]-3-(2-sulfamoylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)Oc1ccccc1C)NCCS(N)(=O)=O.I
InChIInChI=1S/C15H26N4O3S.HI/c1-4-17-15(18-9-10-23(16,20)21)19-11-13(3)22-14-8-6-5-7-12(14)2;/h5-8,13H,4,9-11H2,1-3H3,(H2,16,20,21)(H2,17,18,19);1H
InChIKeyOGZKQGQPGSHZNU-UHFFFAOYSA-N
MW470.38 g/mol
LogP1.22
Rot. Bonds8

About 1-ethyl-2-[2-(2-methylphenoxy)propyl]-3-(2-sulfamoylethyl)guanidine;hydroiodide

1-ethyl-2-[2-(2-methylphenoxy)propyl]-3-(2-sulfamoylethyl)guanidine;hydroiodide (PubChem CID 111686291) has the molecular formula C15H27IN4O3S and a molecular weight of 470.38 g/mol. Its IUPAC name is 1-ethyl-2-[2-(2-methylphenoxy)propyl]-3-(2-sulfamoylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-[2-(2-methylphenoxy)propyl]-3-(2-sulfamoylethyl)guanidine;hydroiodide
PubChem CID111686291
Molecular FormulaC15H27IN4O3S
Molecular Weight470.38 g/mol
Exact Mass470.08
IUPAC Name1-ethyl-2-[2-(2-methylphenoxy)propyl]-3-(2-sulfamoylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)Oc1ccccc1C)NCCS(N)(=O)=O.I
InChIInChI=1S/C15H26N4O3S.HI/c1-4-17-15(18-9-10-23(16,20)21)19-11-13(3)22-14-8-6-5-7-12(14)2;/h5-8,13H,4,9-11H2,1-3H3,(H2,16,20,21)(H2,17,18,19);1H
InChIKeyOGZKQGQPGSHZNU-UHFFFAOYSA-N
XLogP1.22
TPSA105.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.38
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

1-ethyl-3-[3-(ethylsulfonylamino)propyl]-2-[2-(2-methylphenoxy)propyl]guanidine
CID 111686460
1-[3-(dimethylamino)propyl]-3-ethyl-2-[2-(2-methylphenoxy)propyl]guanidine;hydroiodide
CID 111686589
1-ethyl-3-(5-methoxypentyl)-2-[2-(2-methylphenoxy)propyl]guanidine
CID 111686336
1-[2-(diethylsulfamoyl)ethyl]-3-ethyl-2-[2-(2-fluorophenoxy)propyl]guanidine;hydroiodide
CID 111987932
1-ethyl-2-[2-(2-methylphenoxy)propyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine;hydroiodide
CID 111502954
1-ethyl-3-[4-(4-ethylpiperazin-1-yl)butyl]-2-[2-(2-methylphenoxy)propyl]guanidine;hydroiodide
CID 111687213
1-ethyl-3-(2-ethylsulfonylethyl)-2-[2-(3-methoxyphenoxy)propyl]guanidine;hydroiodide
CID 111680005
1-ethyl-3-[4-(4-ethylpiperazin-1-yl)butyl]-2-[2-(2-methylphenoxy)propyl]guanidine
CID 111687214
1-ethyl-2-(2-phenylsulfanylpropyl)-3-(2-sulfamoylethyl)guanidine;hydroiodide
CID 111676697
1-ethyl-2-[2-(2-methoxyphenoxy)propyl]-3-[2-(4-sulfamoylphenyl)ethyl]guanidine
CID 111683358
1-ethyl-2-[2-(2-methylphenoxy)propyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine
CID 111686584
1-ethyl-2-[2-(2-methylphenoxy)propyl]-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111686569

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(2-methylphenoxy)propyl]-3-(2-sulfamoylethyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-[2-(2-methylphenoxy)propyl]-3-(2-sulfamoylethyl)guanidine;hydroiodide (CID 111686291) is 1-ethyl-2-[2-(2-methylphenoxy)propyl]-3-(2-sulfamoylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-[2-(2-methylphenoxy)propyl]-3-(2-sulfamoylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-[2-(2-methylphenoxy)propyl]-3-(2-sulfamoylethyl)guanidine;hydroiodide is CCN/C(=N\CC(C)Oc1ccccc1C)NCCS(N)(=O)=O.I.
What is the InChIKey of 1-ethyl-2-[2-(2-methylphenoxy)propyl]-3-(2-sulfamoylethyl)guanidine;hydroiodide?
The InChIKey is OGZKQGQPGSHZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3S.HI/c1-4-17-15(18-9-10-23(16,20)21)19-11-13(3)22-14-8-6-5-7-12(14)2;/h5-8,13H,4,9-11H2,1-3H3,(H2,16,20,21)(H2,17,18,19);1H.
What are the key properties of 1-ethyl-2-[2-(2-methylphenoxy)propyl]-3-(2-sulfamoylethyl)guanidine;hydroiodide?
1-ethyl-2-[2-(2-methylphenoxy)propyl]-3-(2-sulfamoylethyl)guanidine;hydroiodide has a molecular weight of 470.38 g/mol, XLogP of 1.22, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(2-methylphenoxy)propyl]-3-(2-sulfamoylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111686291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).