N'-[3-(4-fluorophenyl)sulfanylpropyl]morpholine-4-carboximidamide;hydroiodide

C14H21FIN3OS — CID 111027849

IUPACN'-[3-(4-fluorophenyl)sulfanylpropyl]morpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCCSc1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C14H20FN3OS.HI/c15-12-2-4-13(5-3-12)20-11-1-6-17-14(16)18-7-9-19-10-8-18;/h2-5H,1,6-11H2,(H2,16,17);1H
InChIKeyGZNJCDVTBXKZRI-UHFFFAOYSA-N
MW425.31 g/mol
LogP2.57
Rot. Bonds5

About N'-[3-(4-fluorophenyl)sulfanylpropyl]morpholine-4-carboximidamide;hydroiodide

N'-[3-(4-fluorophenyl)sulfanylpropyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 111027849) has the molecular formula C14H21FIN3OS and a molecular weight of 425.31 g/mol. Its IUPAC name is N'-[3-(4-fluorophenyl)sulfanylpropyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[3-(4-fluorophenyl)sulfanylpropyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID111027849
Molecular FormulaC14H21FIN3OS
Molecular Weight425.31 g/mol
Exact Mass425.04
IUPAC NameN'-[3-(4-fluorophenyl)sulfanylpropyl]morpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCCSc1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C14H20FN3OS.HI/c15-12-2-4-13(5-3-12)20-11-1-6-17-14(16)18-7-9-19-10-8-18;/h2-5H,1,6-11H2,(H2,16,17);1H
InChIKeyGZNJCDVTBXKZRI-UHFFFAOYSA-N
XLogP2.57
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'-(2-phenylsulfanylethyl)morpholine-4-carboximidamide
CID 111033052
N'-(3-phenylsulfanylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111027125
N-[2-[[amino(morpholin-4-yl)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide;hydroiodide
CID 111091935
N'-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]morpholine-4-carboximidamide;hydroiodide
CID 111752497
N-[2-[[amino(morpholin-4-yl)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide
CID 111091936
4-(4-fluorophenyl)-N'-(6-methylsulfanylhexyl)piperazine-1-carboximidamide;hydroiodide
CID 110032064
1-ethyl-2-[3-(4-fluorophenyl)sulfanylpropyl]-3-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111311251
4-(4-fluorophenyl)-N'-[3-(1,3-thiazol-2-ylsulfanyl)propyl]piperazine-1-carboximidamide;hydroiodide
CID 111812281
N'-[3-(4-methoxyphenoxy)propyl]morpholine-4-carboximidamide;hydroiodide
CID 111079416
N'-[3-(2-phenylethoxy)propyl]morpholine-4-carboximidamide;hydroiodide
CID 56801703
N'-[3-(4-chlorophenyl)propyl]morpholine-4-carboximidamide
CID 100674114
N'-[(2,5-difluorophenyl)methyl]morpholine-4-carboximidamide
CID 111800968

Frequently Asked Questions

What is the IUPAC name of N'-[3-(4-fluorophenyl)sulfanylpropyl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[3-(4-fluorophenyl)sulfanylpropyl]morpholine-4-carboximidamide;hydroiodide (CID 111027849) is N'-[3-(4-fluorophenyl)sulfanylpropyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[3-(4-fluorophenyl)sulfanylpropyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[3-(4-fluorophenyl)sulfanylpropyl]morpholine-4-carboximidamide;hydroiodide is I.N/C(=N\CCCSc1ccc(F)cc1)N1CCOCC1.
What is the InChIKey of N'-[3-(4-fluorophenyl)sulfanylpropyl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is GZNJCDVTBXKZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3OS.HI/c15-12-2-4-13(5-3-12)20-11-1-6-17-14(16)18-7-9-19-10-8-18;/h2-5H,1,6-11H2,(H2,16,17);1H.
What are the key properties of N'-[3-(4-fluorophenyl)sulfanylpropyl]morpholine-4-carboximidamide;hydroiodide?
N'-[3-(4-fluorophenyl)sulfanylpropyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 425.31 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(4-fluorophenyl)sulfanylpropyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 111027849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).