1-[2-(diethylsulfamoyl)ethyl]-3-ethyl-2-propylguanidine

C12H28N4O2S — CID 111763409

IUPAC1-[2-(diethylsulfamoyl)ethyl]-3-ethyl-2-propylguanidine
SMILESCCC/N=C(\NCC)NCCS(=O)(=O)N(CC)CC
InChIInChI=1S/C12H28N4O2S/c1-5-9-14-12(13-6-2)15-10-11-19(17,18)16(7-3)8-4/h5-11H2,1-4H3,(H2,13,14,15)
InChIKeyAAHDWOHGSIAAIE-UHFFFAOYSA-N
MW292.45 g/mol
LogP0.62
Rot. Bonds9

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

1-[2-(diethylsulfamoyl)ethyl]-3-ethyl-2-propylguanidine (PubChem CID 111763409) has the molecular formula C12H28N4O2S and a molecular weight of 292.45 g/mol. Its IUPAC name is 1-[2-(diethylsulfamoyl)ethyl]-3-ethyl-2-propylguanidine.

Molecular Properties

Compound Name1-[2-(diethylsulfamoyl)ethyl]-3-ethyl-2-propylguanidine
PubChem CID111763409
Molecular FormulaC12H28N4O2S
Molecular Weight292.45 g/mol
Exact Mass292.19
IUPAC Name1-[2-(diethylsulfamoyl)ethyl]-3-ethyl-2-propylguanidine
SMILESCCC/N=C(\NCC)NCCS(=O)(=O)N(CC)CC
InChIInChI=1S/C12H28N4O2S/c1-5-9-14-12(13-6-2)15-10-11-19(17,18)16(7-3)8-4/h5-11H2,1-4H3,(H2,13,14,15)
InChIKeyAAHDWOHGSIAAIE-UHFFFAOYSA-N
XLogP0.62
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 50.62
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]-2-[2-[di(propan-2-yl)amino]ethyl]-3-ethylguanidine
CID 111764143
1-[2-(diethylsulfamoyl)ethyl]-3-ethyl-2-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
CID 111768532
1-[2-(diethylsulfamoyl)ethyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111763366
1-[2-(diethylsulfamoyl)ethyl]-3-ethyl-2-(2-phenylsulfanylpropyl)guanidine
CID 111987659
1-[2-(diethylsulfamoyl)ethyl]-3-ethyl-2-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111999714
1-[2-(diethylsulfamoyl)ethyl]-3-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine
CID 111988819
1,3-diethyl-2-[3-[ethyl(methylsulfonyl)amino]propyl]guanidine
CID 110917856
1,3-diethyl-2-[3-[ethyl(methylsulfonyl)amino]propyl]guanidine;hydroiodide
CID 110917855
1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-propylguanidine;hydroiodide
CID 111225396
1-cyclopentyl-2-[2-(diethylsulfamoyl)ethyl]-3-ethylguanidine
CID 111759533
1-[2-(diethylsulfamoyl)ethyl]-3-ethyl-2-[(3-methoxyphenyl)methyl]guanidine
CID 111764227
1-[2-(diethylsulfamoyl)ethyl]-3-ethyl-2-[[4-(piperidin-1-ylmethyl)phenyl]methyl]guanidine
CID 111769051

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylsulfamoyl)ethyl]-3-ethyl-2-propylguanidine?
The IUPAC name of 1-[2-(diethylsulfamoyl)ethyl]-3-ethyl-2-propylguanidine (CID 111763409) is 1-[2-(diethylsulfamoyl)ethyl]-3-ethyl-2-propylguanidine.
What is the SMILES notation for 1-[2-(diethylsulfamoyl)ethyl]-3-ethyl-2-propylguanidine?
The canonical SMILES for 1-[2-(diethylsulfamoyl)ethyl]-3-ethyl-2-propylguanidine is CCC/N=C(\NCC)NCCS(=O)(=O)N(CC)CC.
What is the InChIKey of 1-[2-(diethylsulfamoyl)ethyl]-3-ethyl-2-propylguanidine?
The InChIKey is AAHDWOHGSIAAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N4O2S/c1-5-9-14-12(13-6-2)15-10-11-19(17,18)16(7-3)8-4/h5-11H2,1-4H3,(H2,13,14,15).
What are the key properties of 1-[2-(diethylsulfamoyl)ethyl]-3-ethyl-2-propylguanidine?
1-[2-(diethylsulfamoyl)ethyl]-3-ethyl-2-propylguanidine has a molecular weight of 292.45 g/mol, XLogP of 0.62, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylsulfamoyl)ethyl]-3-ethyl-2-propylguanidine is sourced from PubChem (CID 111763409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).