N'-[2-(3-fluorophenoxy)butyl]thiomorpholine-4-carboximidamide

C15H22FN3OS — CID 111970223

IUPACN'-[2-(3-fluorophenoxy)butyl]thiomorpholine-4-carboximidamide
SMILESCCC(C/N=C(\N)N1CCSCC1)Oc1cccc(F)c1
InChIInChI=1S/C15H22FN3OS/c1-2-13(20-14-5-3-4-12(16)10-14)11-18-15(17)19-6-8-21-9-7-19/h3-5,10,13H,2,6-9,11H2,1H3,(H2,17,18)
InChIKeyPDCOXLQFFRDYLI-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.35
Rot. Bonds5

About N'-[2-(3-fluorophenoxy)butyl]thiomorpholine-4-carboximidamide

N'-[2-(3-fluorophenoxy)butyl]thiomorpholine-4-carboximidamide (PubChem CID 111970223) has the molecular formula C15H22FN3OS and a molecular weight of 311.43 g/mol. Its IUPAC name is N'-[2-(3-fluorophenoxy)butyl]thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[2-(3-fluorophenoxy)butyl]thiomorpholine-4-carboximidamide
PubChem CID111970223
Molecular FormulaC15H22FN3OS
Molecular Weight311.43 g/mol
Exact Mass311.15
IUPAC NameN'-[2-(3-fluorophenoxy)butyl]thiomorpholine-4-carboximidamide
SMILESCCC(C/N=C(\N)N1CCSCC1)Oc1cccc(F)c1
InChIInChI=1S/C15H22FN3OS/c1-2-13(20-14-5-3-4-12(16)10-14)11-18-15(17)19-6-8-21-9-7-19/h3-5,10,13H,2,6-9,11H2,1H3,(H2,17,18)
InChIKeyPDCOXLQFFRDYLI-UHFFFAOYSA-N
XLogP2.35
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.35
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'}

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Related Compounds

2-[2-(3-fluorophenoxy)butyl]guanidine;hydroiodide
CID 111970141
2-[(2S)-2-(3-fluorophenoxy)butyl]-1,1-dimethylguanidine
CID 97014177
N'-[2-(3-fluorophenoxy)propyl]morpholine-4-carboximidamide
CID 111820472
2-[2-(3-fluorophenoxy)butyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111970238
N'-[2-(3-fluorophenoxy)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111465403
2-[2-(3-fluorophenoxy)butyl]-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111970244
1-[2-(3-fluorophenoxy)butyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111970194
N'-[2-(2-fluorophenoxy)propyl]thiomorpholine-4-carboximidamide
CID 111820650
2-[[amino(thiomorpholin-4-yl)methylidene]amino]-N-(3-fluorophenyl)acetamide
CID 111089441
N'-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111037535
N'-[2-(2-fluorophenoxy)butyl]morpholine-4-carboximidamide
CID 111752728
1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-ethyl-2-[2-(3-fluorophenoxy)butyl]guanidine
CID 109476305

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-fluorophenoxy)butyl]thiomorpholine-4-carboximidamide?
The IUPAC name of N'-[2-(3-fluorophenoxy)butyl]thiomorpholine-4-carboximidamide (CID 111970223) is N'-[2-(3-fluorophenoxy)butyl]thiomorpholine-4-carboximidamide.
What is the SMILES notation for N'-[2-(3-fluorophenoxy)butyl]thiomorpholine-4-carboximidamide?
The canonical SMILES for N'-[2-(3-fluorophenoxy)butyl]thiomorpholine-4-carboximidamide is CCC(C/N=C(\N)N1CCSCC1)Oc1cccc(F)c1.
What is the InChIKey of N'-[2-(3-fluorophenoxy)butyl]thiomorpholine-4-carboximidamide?
The InChIKey is PDCOXLQFFRDYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3OS/c1-2-13(20-14-5-3-4-12(16)10-14)11-18-15(17)19-6-8-21-9-7-19/h3-5,10,13H,2,6-9,11H2,1H3,(H2,17,18).
What are the key properties of N'-[2-(3-fluorophenoxy)butyl]thiomorpholine-4-carboximidamide?
N'-[2-(3-fluorophenoxy)butyl]thiomorpholine-4-carboximidamide has a molecular weight of 311.43 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-fluorophenoxy)butyl]thiomorpholine-4-carboximidamide is sourced from PubChem (CID 111970223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).