N-ethyl-N'-[2-(2-fluorophenyl)sulfonylethyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide

C18H29FIN3O2S — CID 109453735

IUPACN-ethyl-N'-[2-(2-fluorophenyl)sulfonylethyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCS(=O)(=O)c1ccccc1F)N1CC(C)(C)C1(C)C.I
InChIInChI=1S/C18H28FN3O2S.HI/c1-6-20-16(22-13-17(2,3)18(22,4)5)21-11-12-25(23,24)15-10-8-7-9-14(15)19;/h7-10H,6,11-13H2,1-5H3,(H,20,21);1H
InChIKeyKWYBTQUWJMPCHP-UHFFFAOYSA-N
MW497.42 g/mol
LogP3.30
Rot. Bonds5

About N-ethyl-N'-[2-(2-fluorophenyl)sulfonylethyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide

N-ethyl-N'-[2-(2-fluorophenyl)sulfonylethyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide (PubChem CID 109453735) has the molecular formula C18H29FIN3O2S and a molecular weight of 497.42 g/mol. Its IUPAC name is N-ethyl-N'-[2-(2-fluorophenyl)sulfonylethyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-N'-[2-(2-fluorophenyl)sulfonylethyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide
PubChem CID109453735
Molecular FormulaC18H29FIN3O2S
Molecular Weight497.42 g/mol
Exact Mass497.10
IUPAC NameN-ethyl-N'-[2-(2-fluorophenyl)sulfonylethyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCS(=O)(=O)c1ccccc1F)N1CC(C)(C)C1(C)C.I
InChIInChI=1S/C18H28FN3O2S.HI/c1-6-20-16(22-13-17(2,3)18(22,4)5)21-11-12-25(23,24)15-10-8-7-9-14(15)19;/h7-10H,6,11-13H2,1-5H3,(H,20,21);1H
InChIKeyKWYBTQUWJMPCHP-UHFFFAOYSA-N
XLogP3.30
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
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

N-ethyl-2,2,3,3-tetramethyl-N'-(2-methylsulfonylethyl)azetidine-1-carboximidamide;hydroiodide
CID 109452094
1,3-diethyl-2-[2-(2-fluorophenyl)sulfonylethyl]guanidine
CID 111179326
N'-[4-(1,3-dioxoisoindol-2-yl)butyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide
CID 109452772
1-cyclohexyl-3-ethyl-2-[2-(2-fluorophenyl)sulfonylethyl]guanidine;hydroiodide
CID 111578248
2-[[ethylamino-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]-N-phenylacetamide;hydroiodide
CID 109453473
1-ethyl-3-[2-(2-fluorophenyl)sulfonylethyl]-2-propylguanidine;hydroiodide
CID 111578187
N-ethyl-2,2,3,3-tetramethyl-N'-[2-(4-methylsulfonylphenoxy)ethyl]azetidine-1-carboximidamide
CID 109451979
2-[[ethylamino-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide;hydroiodide
CID 109452450
N'-[2-(diethylamino)ethyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide
CID 109454087
N'-(2,2-dimethyl-4-methylsulfonylbutyl)-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide
CID 109453099
N-ethyl-N'-[2-(3-hydroxyphenyl)ethyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide
CID 109452851
N-ethyl-N'-(2-hydroxy-3-phenylpropyl)-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide
CID 109453173

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[2-(2-fluorophenyl)sulfonylethyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-N'-[2-(2-fluorophenyl)sulfonylethyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide (CID 109453735) is N-ethyl-N'-[2-(2-fluorophenyl)sulfonylethyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-N'-[2-(2-fluorophenyl)sulfonylethyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-N'-[2-(2-fluorophenyl)sulfonylethyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide is CCN/C(=N\CCS(=O)(=O)c1ccccc1F)N1CC(C)(C)C1(C)C.I.
What is the InChIKey of N-ethyl-N'-[2-(2-fluorophenyl)sulfonylethyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide?
The InChIKey is KWYBTQUWJMPCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN3O2S.HI/c1-6-20-16(22-13-17(2,3)18(22,4)5)21-11-12-25(23,24)15-10-8-7-9-14(15)19;/h7-10H,6,11-13H2,1-5H3,(H,20,21);1H.
What are the key properties of N-ethyl-N'-[2-(2-fluorophenyl)sulfonylethyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide?
N-ethyl-N'-[2-(2-fluorophenyl)sulfonylethyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide has a molecular weight of 497.42 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[2-(2-fluorophenyl)sulfonylethyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109453735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).