1-[2-(diethylsulfamoyl)ethyl]-2-methyl-3-propylguanidine;hydroiodide

C11H27IN4O2S — CID 111763366

IUPAC1-[2-(diethylsulfamoyl)ethyl]-2-methyl-3-propylguanidine;hydroiodide
SMILESCCCN/C(=N\C)NCCS(=O)(=O)N(CC)CC.I
InChIInChI=1S/C11H26N4O2S.HI/c1-5-8-13-11(12-4)14-9-10-18(16,17)15(6-2)7-3;/h5-10H2,1-4H3,(H2,12,13,14);1H
InChIKeyGSCWBYXMKHRPQW-UHFFFAOYSA-N
MW406.33 g/mol
LogP0.85
Rot. Bonds8

About 1-[2-(diethylsulfamoyl)ethyl]-2-methyl-3-propylguanidine;hydroiodide

1-[2-(diethylsulfamoyl)ethyl]-2-methyl-3-propylguanidine;hydroiodide (PubChem CID 111763366) has the molecular formula C11H27IN4O2S and a molecular weight of 406.33 g/mol. Its IUPAC name is 1-[2-(diethylsulfamoyl)ethyl]-2-methyl-3-propylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(diethylsulfamoyl)ethyl]-2-methyl-3-propylguanidine;hydroiodide
PubChem CID111763366
Molecular FormulaC11H27IN4O2S
Molecular Weight406.33 g/mol
Exact Mass406.09
IUPAC Name1-[2-(diethylsulfamoyl)ethyl]-2-methyl-3-propylguanidine;hydroiodide
SMILESCCCN/C(=N\C)NCCS(=O)(=O)N(CC)CC.I
InChIInChI=1S/C11H26N4O2S.HI/c1-5-8-13-11(12-4)14-9-10-18(16,17)15(6-2)7-3;/h5-10H2,1-4H3,(H2,12,13,14);1H
InChIKeyGSCWBYXMKHRPQW-UHFFFAOYSA-N
XLogP0.85
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.33
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2-ethylsulfonylethyl)-2-methyl-3-propylguanidine;hydroiodide
CID 111225532
1-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine;hydroiodide
CID 111107658
1-[2-(diethylsulfamoyl)ethyl]-2-methyl-3-(2-phenylsulfanylethyl)guanidine;hydroiodide
CID 111767296
1-[2-(diethylsulfamoyl)ethyl]-3-ethyl-2-propylguanidine
CID 111763409
1-[3-(cyclopropylmethoxy)propyl]-3-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine
CID 111768061
1-[2-(diethylsulfamoyl)ethyl]-2-methyl-3-[(5-methylthiophen-2-yl)methyl]guanidine
CID 111999435
1-[2-(diethylsulfamoyl)ethyl]-3-[(4-fluoro-3-methylphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111998152
1-(1-cyclopropylpiperidin-4-yl)-3-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine;hydroiodide
CID 111989884
1-[(3-chlorophenyl)methyl]-3-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine
CID 111761803
1-[2-(diethylsulfamoyl)ethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine
CID 111760237
1-[2-(diethylsulfamoyl)ethyl]-2-methyl-3-[2-(3-methylphenyl)propyl]guanidine;hydroiodide
CID 111987034
1-[2-(diethylsulfamoyl)ethyl]-2-methyl-3-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]guanidine;hydroiodide
CID 111988176

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylsulfamoyl)ethyl]-2-methyl-3-propylguanidine;hydroiodide?
The IUPAC name of 1-[2-(diethylsulfamoyl)ethyl]-2-methyl-3-propylguanidine;hydroiodide (CID 111763366) is 1-[2-(diethylsulfamoyl)ethyl]-2-methyl-3-propylguanidine;hydroiodide.
What is the SMILES notation for 1-[2-(diethylsulfamoyl)ethyl]-2-methyl-3-propylguanidine;hydroiodide?
The canonical SMILES for 1-[2-(diethylsulfamoyl)ethyl]-2-methyl-3-propylguanidine;hydroiodide is CCCN/C(=N\C)NCCS(=O)(=O)N(CC)CC.I.
What is the InChIKey of 1-[2-(diethylsulfamoyl)ethyl]-2-methyl-3-propylguanidine;hydroiodide?
The InChIKey is GSCWBYXMKHRPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N4O2S.HI/c1-5-8-13-11(12-4)14-9-10-18(16,17)15(6-2)7-3;/h5-10H2,1-4H3,(H2,12,13,14);1H.
What are the key properties of 1-[2-(diethylsulfamoyl)ethyl]-2-methyl-3-propylguanidine;hydroiodide?
1-[2-(diethylsulfamoyl)ethyl]-2-methyl-3-propylguanidine;hydroiodide has a molecular weight of 406.33 g/mol, XLogP of 0.85, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylsulfamoyl)ethyl]-2-methyl-3-propylguanidine;hydroiodide is sourced from PubChem (CID 111763366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).