2-[2-(diethylsulfamoyl)ethyl]-1-ethyl-3-(3-methylcyclohexyl)guanidine

C16H34N4O2S — CID 111990657

IUPAC2-[2-(diethylsulfamoyl)ethyl]-1-ethyl-3-(3-methylcyclohexyl)guanidine
SMILESCCN/C(=N\CCS(=O)(=O)N(CC)CC)NC1CCCC(C)C1
InChIInChI=1S/C16H34N4O2S/c1-5-17-16(19-15-10-8-9-14(4)13-15)18-11-12-23(21,22)20(6-2)7-3/h14-15H,5-13H2,1-4H3,(H2,17,18,19)
InChIKeyRJKVKBGUHQUFTA-UHFFFAOYSA-N
MW346.54 g/mol
LogP1.79
Rot. Bonds8

About 2-[2-(diethylsulfamoyl)ethyl]-1-ethyl-3-(3-methylcyclohexyl)guanidine

2-[2-(diethylsulfamoyl)ethyl]-1-ethyl-3-(3-methylcyclohexyl)guanidine (PubChem CID 111990657) has the molecular formula C16H34N4O2S and a molecular weight of 346.54 g/mol. Its IUPAC name is 2-[2-(diethylsulfamoyl)ethyl]-1-ethyl-3-(3-methylcyclohexyl)guanidine.

Molecular Properties

Compound Name2-[2-(diethylsulfamoyl)ethyl]-1-ethyl-3-(3-methylcyclohexyl)guanidine
PubChem CID111990657
Molecular FormulaC16H34N4O2S
Molecular Weight346.54 g/mol
Exact Mass346.24
IUPAC Name2-[2-(diethylsulfamoyl)ethyl]-1-ethyl-3-(3-methylcyclohexyl)guanidine
SMILESCCN/C(=N\CCS(=O)(=O)N(CC)CC)NC1CCCC(C)C1
InChIInChI=1S/C16H34N4O2S/c1-5-17-16(19-15-10-8-9-14(4)13-15)18-11-12-23(21,22)20(6-2)7-3/h14-15H,5-13H2,1-4H3,(H2,17,18,19)
InChIKeyRJKVKBGUHQUFTA-UHFFFAOYSA-N
XLogP1.79
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.54
LogP ≤ 51.79
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-cyclopentyl-2-[2-(diethylsulfamoyl)ethyl]-3-ethylguanidine
CID 111759533
1-ethyl-2-(2-hydroxyethyl)-3-(3-methylcyclohexyl)guanidine;hydroiodide
CID 111990596
2-[2-(diethylsulfamoyl)ethyl]-1-ethyl-3-[1-(2-methylpropyl)piperidin-4-yl]guanidine
CID 111989953
1-(1-benzylpiperidin-4-yl)-2-[2-(diethylsulfamoyl)ethyl]-3-ethylguanidine;hydroiodide
CID 111548912
2-(2-tert-butylsulfonylethyl)-1-cyclohexyl-3-ethylguanidine;hydroiodide
CID 111573490
1-ethyl-3-(2-ethylsulfonylethyl)-2-[2-(3-methylcyclohexyl)ethyl]guanidine
CID 111558239
1-ethyl-2-[2-(furan-2-yl)ethyl]-3-(3-methylcyclohexyl)guanidine;hydroiodide
CID 110054555
2-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-ethyl-3-(3-methylcyclohexyl)guanidine;hydroiodide
CID 109394247
1-cyclopentyl-3-ethyl-2-[3-[ethylsulfonyl(methyl)amino]propyl]guanidine
CID 110991769
2-(2-tert-butylsulfonylethyl)-1-ethyl-3-(4-methylcyclohexyl)guanidine;hydroiodide
CID 111829637
2-[2-(diethylsulfamoyl)ethyl]-1-ethyl-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]guanidine;hydroiodide
CID 111990432
1-ethyl-2-(2-ethylsulfonylethyl)-3-(4-hydroxycyclohexyl)guanidine
CID 111190416

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylsulfamoyl)ethyl]-1-ethyl-3-(3-methylcyclohexyl)guanidine?
The IUPAC name of 2-[2-(diethylsulfamoyl)ethyl]-1-ethyl-3-(3-methylcyclohexyl)guanidine (CID 111990657) is 2-[2-(diethylsulfamoyl)ethyl]-1-ethyl-3-(3-methylcyclohexyl)guanidine.
What is the SMILES notation for 2-[2-(diethylsulfamoyl)ethyl]-1-ethyl-3-(3-methylcyclohexyl)guanidine?
The canonical SMILES for 2-[2-(diethylsulfamoyl)ethyl]-1-ethyl-3-(3-methylcyclohexyl)guanidine is CCN/C(=N\CCS(=O)(=O)N(CC)CC)NC1CCCC(C)C1.
What is the InChIKey of 2-[2-(diethylsulfamoyl)ethyl]-1-ethyl-3-(3-methylcyclohexyl)guanidine?
The InChIKey is RJKVKBGUHQUFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4O2S/c1-5-17-16(19-15-10-8-9-14(4)13-15)18-11-12-23(21,22)20(6-2)7-3/h14-15H,5-13H2,1-4H3,(H2,17,18,19).
What are the key properties of 2-[2-(diethylsulfamoyl)ethyl]-1-ethyl-3-(3-methylcyclohexyl)guanidine?
2-[2-(diethylsulfamoyl)ethyl]-1-ethyl-3-(3-methylcyclohexyl)guanidine has a molecular weight of 346.54 g/mol, XLogP of 1.79, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylsulfamoyl)ethyl]-1-ethyl-3-(3-methylcyclohexyl)guanidine is sourced from PubChem (CID 111990657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).