1-cyclopentyl-2-[2-(diethylsulfamoyl)ethyl]-3-ethylguanidine

C14H30N4O2S — CID 111759533

IUPAC1-cyclopentyl-2-[2-(diethylsulfamoyl)ethyl]-3-ethylguanidine
SMILESCCN/C(=N\CCS(=O)(=O)N(CC)CC)NC1CCCC1
InChIInChI=1S/C14H30N4O2S/c1-4-15-14(17-13-9-7-8-10-13)16-11-12-21(19,20)18(5-2)6-3/h13H,4-12H2,1-3H3,(H2,15,16,17)
InChIKeyDEMVTVCCDAMZCG-UHFFFAOYSA-N
MW318.49 g/mol
LogP1.16
Rot. Bonds8

About 1-cyclopentyl-2-[2-(diethylsulfamoyl)ethyl]-3-ethylguanidine

1-cyclopentyl-2-[2-(diethylsulfamoyl)ethyl]-3-ethylguanidine (PubChem CID 111759533) has the molecular formula C14H30N4O2S and a molecular weight of 318.49 g/mol. Its IUPAC name is 1-cyclopentyl-2-[2-(diethylsulfamoyl)ethyl]-3-ethylguanidine.

Molecular Properties

Compound Name1-cyclopentyl-2-[2-(diethylsulfamoyl)ethyl]-3-ethylguanidine
PubChem CID111759533
Molecular FormulaC14H30N4O2S
Molecular Weight318.49 g/mol
Exact Mass318.21
IUPAC Name1-cyclopentyl-2-[2-(diethylsulfamoyl)ethyl]-3-ethylguanidine
SMILESCCN/C(=N\CCS(=O)(=O)N(CC)CC)NC1CCCC1
InChIInChI=1S/C14H30N4O2S/c1-4-15-14(17-13-9-7-8-10-13)16-11-12-21(19,20)18(5-2)6-3/h13H,4-12H2,1-3H3,(H2,15,16,17)
InChIKeyDEMVTVCCDAMZCG-UHFFFAOYSA-N
XLogP1.16
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 51.16
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

2-[2-(diethylsulfamoyl)ethyl]-1-ethyl-3-(3-methylcyclohexyl)guanidine
CID 111990657
2-[2-(diethylsulfamoyl)ethyl]-1-ethyl-3-[1-(2-methylpropyl)piperidin-4-yl]guanidine
CID 111989953
2-(2-tert-butylsulfonylethyl)-1-cyclohexyl-3-ethylguanidine;hydroiodide
CID 111573490
1-(1-benzylpiperidin-4-yl)-2-[2-(diethylsulfamoyl)ethyl]-3-ethylguanidine;hydroiodide
CID 111548912
1-cyclopentyl-3-ethyl-2-[3-[ethylsulfonyl(methyl)amino]propyl]guanidine
CID 110991769
1-ethyl-2-(2-ethylsulfonylethyl)-3-(4-hydroxycyclohexyl)guanidine
CID 111190416
2-[2-(diethylsulfamoyl)ethyl]-1-ethyl-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]guanidine;hydroiodide
CID 111990432
1-cyclohexyl-2-(2-cyclopropylethyl)-3-ethylguanidine;hydroiodide
CID 111604591
1-cyclohexyl-3-ethyl-2-[2-(2-fluorophenyl)sulfonylethyl]guanidine;hydroiodide
CID 111578248
1-ethyl-2-(2-ethylsulfonylethyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111318278
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-(2-ethylsulfonylethyl)guanidine
CID 111919567
1-cyclopentyl-2-(3-cyclopropylpropyl)-3-ethylguanidine;hydroiodide
CID 111790884

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[2-(diethylsulfamoyl)ethyl]-3-ethylguanidine?
The IUPAC name of 1-cyclopentyl-2-[2-(diethylsulfamoyl)ethyl]-3-ethylguanidine (CID 111759533) is 1-cyclopentyl-2-[2-(diethylsulfamoyl)ethyl]-3-ethylguanidine.
What is the SMILES notation for 1-cyclopentyl-2-[2-(diethylsulfamoyl)ethyl]-3-ethylguanidine?
The canonical SMILES for 1-cyclopentyl-2-[2-(diethylsulfamoyl)ethyl]-3-ethylguanidine is CCN/C(=N\CCS(=O)(=O)N(CC)CC)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-[2-(diethylsulfamoyl)ethyl]-3-ethylguanidine?
The InChIKey is DEMVTVCCDAMZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O2S/c1-4-15-14(17-13-9-7-8-10-13)16-11-12-21(19,20)18(5-2)6-3/h13H,4-12H2,1-3H3,(H2,15,16,17).
What are the key properties of 1-cyclopentyl-2-[2-(diethylsulfamoyl)ethyl]-3-ethylguanidine?
1-cyclopentyl-2-[2-(diethylsulfamoyl)ethyl]-3-ethylguanidine has a molecular weight of 318.49 g/mol, XLogP of 1.16, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[2-(diethylsulfamoyl)ethyl]-3-ethylguanidine is sourced from PubChem (CID 111759533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).