1-cyclohexyl-3-ethyl-2-[2-(2-fluorophenyl)sulfonylethyl]guanidine;hydroiodide

C17H27FIN3O2S — CID 111578248

IUPAC1-cyclohexyl-3-ethyl-2-[2-(2-fluorophenyl)sulfonylethyl]guanidine;hydroiodide
SMILESCCN/C(=N\CCS(=O)(=O)c1ccccc1F)NC1CCCCC1.I
InChIInChI=1S/C17H26FN3O2S.HI/c1-2-19-17(21-14-8-4-3-5-9-14)20-12-13-24(22,23)16-11-7-6-10-15(16)18;/h6-7,10-11,14H,2-5,8-9,12-13H2,1H3,(H2,19,20,21);1H
InChIKeyAQUYOJFAJHJUCD-UHFFFAOYSA-N
MW483.39 g/mol
LogP3.11
Rot. Bonds6

About 1-cyclohexyl-3-ethyl-2-[2-(2-fluorophenyl)sulfonylethyl]guanidine;hydroiodide

1-cyclohexyl-3-ethyl-2-[2-(2-fluorophenyl)sulfonylethyl]guanidine;hydroiodide (PubChem CID 111578248) has the molecular formula C17H27FIN3O2S and a molecular weight of 483.39 g/mol. Its IUPAC name is 1-cyclohexyl-3-ethyl-2-[2-(2-fluorophenyl)sulfonylethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclohexyl-3-ethyl-2-[2-(2-fluorophenyl)sulfonylethyl]guanidine;hydroiodide
PubChem CID111578248
Molecular FormulaC17H27FIN3O2S
Molecular Weight483.39 g/mol
Exact Mass483.09
IUPAC Name1-cyclohexyl-3-ethyl-2-[2-(2-fluorophenyl)sulfonylethyl]guanidine;hydroiodide
SMILESCCN/C(=N\CCS(=O)(=O)c1ccccc1F)NC1CCCCC1.I
InChIInChI=1S/C17H26FN3O2S.HI/c1-2-19-17(21-14-8-4-3-5-9-14)20-12-13-24(22,23)16-11-7-6-10-15(16)18;/h6-7,10-11,14H,2-5,8-9,12-13H2,1H3,(H2,19,20,21);1H
InChIKeyAQUYOJFAJHJUCD-UHFFFAOYSA-N
XLogP3.11
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.39
LogP ≤ 53.11
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-(3-ethylsulfinylcyclohexyl)-2-[2-(2-fluorophenyl)sulfonylethyl]guanidine;hydroiodide
CID 109440314
1,3-diethyl-2-[2-(2-fluorophenyl)sulfonylethyl]guanidine
CID 111179326
2-(2-tert-butylsulfonylethyl)-1-cyclohexyl-3-ethylguanidine;hydroiodide
CID 111573490
1-ethyl-3-[2-(2-fluorophenyl)sulfonylethyl]-2-propylguanidine;hydroiodide
CID 111578187
1-cyclohexyl-2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-ethylguanidine
CID 110957330
1-cyclopentyl-2-[2-(diethylsulfamoyl)ethyl]-3-ethylguanidine
CID 111759533
2-[2-(benzylsulfamoyl)ethyl]-1-cyclopropyl-3-ethylguanidine;hydroiodide
CID 110988397
1-ethyl-2-[2-(2-fluorophenyl)sulfonylethyl]-3-[2-(2-methoxyphenyl)ethyl]guanidine
CID 111578443
N-ethyl-N'-[2-(2-fluorophenyl)sulfonylethyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide
CID 109453735
1-cyclopentyl-2-[2-(2,5-difluorophenyl)ethyl]-3-ethylguanidine;hydroiodide
CID 111965424
2-[2-(benzenesulfonyl)ethyl]-1-ethyl-3-(3-methylsulfanylcyclopentyl)guanidine;hydroiodide
CID 111530706
1-cyclopentyl-3-ethyl-2-[2-(3-fluorophenyl)ethyl]guanidine
CID 110992329

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-ethyl-2-[2-(2-fluorophenyl)sulfonylethyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclohexyl-3-ethyl-2-[2-(2-fluorophenyl)sulfonylethyl]guanidine;hydroiodide (CID 111578248) is 1-cyclohexyl-3-ethyl-2-[2-(2-fluorophenyl)sulfonylethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclohexyl-3-ethyl-2-[2-(2-fluorophenyl)sulfonylethyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclohexyl-3-ethyl-2-[2-(2-fluorophenyl)sulfonylethyl]guanidine;hydroiodide is CCN/C(=N\CCS(=O)(=O)c1ccccc1F)NC1CCCCC1.I.
What is the InChIKey of 1-cyclohexyl-3-ethyl-2-[2-(2-fluorophenyl)sulfonylethyl]guanidine;hydroiodide?
The InChIKey is AQUYOJFAJHJUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O2S.HI/c1-2-19-17(21-14-8-4-3-5-9-14)20-12-13-24(22,23)16-11-7-6-10-15(16)18;/h6-7,10-11,14H,2-5,8-9,12-13H2,1H3,(H2,19,20,21);1H.
What are the key properties of 1-cyclohexyl-3-ethyl-2-[2-(2-fluorophenyl)sulfonylethyl]guanidine;hydroiodide?
1-cyclohexyl-3-ethyl-2-[2-(2-fluorophenyl)sulfonylethyl]guanidine;hydroiodide has a molecular weight of 483.39 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-ethyl-2-[2-(2-fluorophenyl)sulfonylethyl]guanidine;hydroiodide is sourced from PubChem (CID 111578248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).