1-[(3-chlorophenyl)methyl]-3-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine

C15H25ClN4O2S — CID 111761803

IUPAC1-[(3-chlorophenyl)methyl]-3-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine
SMILESCCN(CC)S(=O)(=O)CCN/C(=N\C)NCc1cccc(Cl)c1
InChIInChI=1S/C15H25ClN4O2S/c1-4-20(5-2)23(21,22)10-9-18-15(17-3)19-12-13-7-6-8-14(16)11-13/h6-8,11H,4-5,9-10,12H2,1-3H3,(H2,17,18,19)
InChIKeyHHZIHJFWRJDBBE-UHFFFAOYSA-N
MW360.91 g/mol
LogP1.68
Rot. Bonds8

About 1-[(3-chlorophenyl)methyl]-3-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine

1-[(3-chlorophenyl)methyl]-3-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine (PubChem CID 111761803) has the molecular formula C15H25ClN4O2S and a molecular weight of 360.91 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-3-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-3-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine
PubChem CID111761803
Molecular FormulaC15H25ClN4O2S
Molecular Weight360.91 g/mol
Exact Mass360.14
IUPAC Name1-[(3-chlorophenyl)methyl]-3-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine
SMILESCCN(CC)S(=O)(=O)CCN/C(=N\C)NCc1cccc(Cl)c1
InChIInChI=1S/C15H25ClN4O2S/c1-4-20(5-2)23(21,22)10-9-18-15(17-3)19-12-13-7-6-8-14(16)11-13/h6-8,11H,4-5,9-10,12H2,1-3H3,(H2,17,18,19)
InChIKeyHHZIHJFWRJDBBE-UHFFFAOYSA-N
XLogP1.68
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.91
LogP ≤ 51.68
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'}

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Related Compounds

1-[2-(diethylsulfamoyl)ethyl]-3-[(3-methoxyphenyl)methyl]-2-methylguanidine
CID 111764197
1-[2-(diethylsulfamoyl)ethyl]-3-[(4-fluoro-3-methylphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111998152
1-[(3-chlorophenyl)methyl]-3-[2-(diethylamino)ethyl]-2-methylguanidine
CID 111176346
1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-3-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine;hydroiodide
CID 111986700
1-[(3-chlorophenyl)methyl]-2-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]guanidine
CID 111177238
1-[2-(3-chlorophenyl)ethyl]-2-methyl-3-[[3-(methylsulfamoyl)phenyl]methyl]guanidine;hydroiodide
CID 111358075
1-[2-(diethylsulfamoyl)ethyl]-2-methyl-3-[(5-methylthiophen-2-yl)methyl]guanidine
CID 111999435
1-(3-butoxypropyl)-3-[(3-chlorophenyl)methyl]-2-methylguanidine
CID 111176582
4-chloro-N-[2-[[N-[(3-chlorophenyl)methyl]-N'-methylcarbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111176187
1-benzyl-3-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-methylguanidine
CID 110952824
1-[2-(diethylsulfamoyl)ethyl]-2-methyl-3-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]guanidine;hydroiodide
CID 111988176
1-[2-(diethylsulfamoyl)ethyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111763366

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-3-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-3-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine (CID 111761803) is 1-[(3-chlorophenyl)methyl]-3-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-3-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-3-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine is CCN(CC)S(=O)(=O)CCN/C(=N\C)NCc1cccc(Cl)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-3-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine?
The InChIKey is HHZIHJFWRJDBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN4O2S/c1-4-20(5-2)23(21,22)10-9-18-15(17-3)19-12-13-7-6-8-14(16)11-13/h6-8,11H,4-5,9-10,12H2,1-3H3,(H2,17,18,19).
What are the key properties of 1-[(3-chlorophenyl)methyl]-3-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine?
1-[(3-chlorophenyl)methyl]-3-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine has a molecular weight of 360.91 g/mol, XLogP of 1.68, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-3-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine is sourced from PubChem (CID 111761803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).