1-(2,6-diethylphenyl)-2-(2-sulfamoylethyl)guanidine

C13H22N4O2S — CID 111046599

IUPAC1-(2,6-diethylphenyl)-2-(2-sulfamoylethyl)guanidine
SMILESCCc1cccc(CC)c1N/C(N)=N/CCS(N)(=O)=O
InChIInChI=1S/C13H22N4O2S/c1-3-10-6-5-7-11(4-2)12(10)17-13(14)16-8-9-20(15,18)19/h5-7H,3-4,8-9H2,1-2H3,(H3,14,16,17)(H2,15,18,19)
InChIKeyQDUDVMLKXKAMOG-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.83
Rot. Bonds6

About 1-(2,6-diethylphenyl)-2-(2-sulfamoylethyl)guanidine

1-(2,6-diethylphenyl)-2-(2-sulfamoylethyl)guanidine (PubChem CID 111046599) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-(2,6-diethylphenyl)-2-(2-sulfamoylethyl)guanidine.

Molecular Properties

Compound Name1-(2,6-diethylphenyl)-2-(2-sulfamoylethyl)guanidine
PubChem CID111046599
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name1-(2,6-diethylphenyl)-2-(2-sulfamoylethyl)guanidine
SMILESCCc1cccc(CC)c1N/C(N)=N/CCS(N)(=O)=O
InChIInChI=1S/C13H22N4O2S/c1-3-10-6-5-7-11(4-2)12(10)17-13(14)16-8-9-20(15,18)19/h5-7H,3-4,8-9H2,1-2H3,(H3,14,16,17)(H2,15,18,19)
InChIKeyQDUDVMLKXKAMOG-UHFFFAOYSA-N
XLogP0.83
TPSA110.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.83
H-Bond Donors ≤ 53
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

2-(2-tert-butylsulfonylethyl)-1-(2,6-diethylphenyl)guanidine;hydroiodide
CID 111812125
1-(2,6-diethylphenyl)-2-(3-methylsulfonylpropyl)guanidine;hydroiodide
CID 111067173
1-(2,6-diethylphenyl)-2-[2-(2-methylsulfonylethoxy)ethyl]guanidine
CID 111819758
1-phenyl-2-(2-sulfamoylethyl)guanidine
CID 62364508
1-(2,6-diethylphenyl)-2-[2-(4-sulfamoylphenyl)ethyl]guanidine;hydroiodide
CID 111024282
2-[3-(benzenesulfonyl)propyl]-1-(2,6-diethylphenyl)guanidine;hydroiodide
CID 111085320
1-phenyl-2-(2-sulfamoylethyl)guanidine;hydroiodide
CID 110912467
1-(4-methylphenyl)-2-(2-sulfamoylethyl)guanidine
CID 111046601
2-(3-benzylsulfonylpropyl)-1-(2,6-diethylphenyl)guanidine;hydroiodide
CID 111065199
1-(2,6-diethylphenyl)-2-(2-methyl-2-methylsulfonylpropyl)guanidine
CID 111752106
1-(2,6-diethylphenyl)-2-[2-(1,3-dioxoisoindol-2-yl)ethyl]guanidine;hydroiodide
CID 111074902
1-(2,6-diethylphenyl)-2-(2-methylpropyl)guanidine;hydroiodide
CID 110912607

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diethylphenyl)-2-(2-sulfamoylethyl)guanidine?
The IUPAC name of 1-(2,6-diethylphenyl)-2-(2-sulfamoylethyl)guanidine (CID 111046599) is 1-(2,6-diethylphenyl)-2-(2-sulfamoylethyl)guanidine.
What is the SMILES notation for 1-(2,6-diethylphenyl)-2-(2-sulfamoylethyl)guanidine?
The canonical SMILES for 1-(2,6-diethylphenyl)-2-(2-sulfamoylethyl)guanidine is CCc1cccc(CC)c1N/C(N)=N/CCS(N)(=O)=O.
What is the InChIKey of 1-(2,6-diethylphenyl)-2-(2-sulfamoylethyl)guanidine?
The InChIKey is QDUDVMLKXKAMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-3-10-6-5-7-11(4-2)12(10)17-13(14)16-8-9-20(15,18)19/h5-7H,3-4,8-9H2,1-2H3,(H3,14,16,17)(H2,15,18,19).
What are the key properties of 1-(2,6-diethylphenyl)-2-(2-sulfamoylethyl)guanidine?
1-(2,6-diethylphenyl)-2-(2-sulfamoylethyl)guanidine has a molecular weight of 298.41 g/mol, XLogP of 0.83, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diethylphenyl)-2-(2-sulfamoylethyl)guanidine is sourced from PubChem (CID 111046599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).