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

C14H20FN3OS — CID 111820650

IUPACN'-[2-(2-fluorophenoxy)propyl]thiomorpholine-4-carboximidamide
SMILESCC(C/N=C(\N)N1CCSCC1)Oc1ccccc1F
InChIInChI=1S/C14H20FN3OS/c1-11(19-13-5-3-2-4-12(13)15)10-17-14(16)18-6-8-20-9-7-18/h2-5,11H,6-10H2,1H3,(H2,16,17)
InChIKeyBVRXZPIXCPOMDM-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.96
Rot. Bonds4

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

N'-[2-(2-fluorophenoxy)propyl]thiomorpholine-4-carboximidamide (PubChem CID 111820650) has the molecular formula C14H20FN3OS and a molecular weight of 297.40 g/mol. Its IUPAC name is N'-[2-(2-fluorophenoxy)propyl]thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[2-(2-fluorophenoxy)propyl]thiomorpholine-4-carboximidamide
PubChem CID111820650
Molecular FormulaC14H20FN3OS
Molecular Weight297.40 g/mol
Exact Mass297.13
IUPAC NameN'-[2-(2-fluorophenoxy)propyl]thiomorpholine-4-carboximidamide
SMILESCC(C/N=C(\N)N1CCSCC1)Oc1ccccc1F
InChIInChI=1S/C14H20FN3OS/c1-11(19-13-5-3-2-4-12(13)15)10-17-14(16)18-6-8-20-9-7-18/h2-5,11H,6-10H2,1H3,(H2,16,17)
InChIKeyBVRXZPIXCPOMDM-UHFFFAOYSA-N
XLogP1.96
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.96
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'}

Analyze N'-[2-(2-fluorophenoxy)propyl]thiomorpholine-4-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[2-(2-fluorophenoxy)propyl]morpholine-4-carboximidamide;hydroiodide
CID 111820619
N'-[2-(4-chlorophenoxy)propyl]thiomorpholine-4-carboximidamide
CID 111820434
2-[2-(2-fluorophenoxy)propyl]guanidine;hydroiodide
CID 111465552
N'-[2-(2-fluorophenoxy)butyl]morpholine-4-carboximidamide
CID 111752728
N'-(2-methoxy-2-phenylethyl)thiomorpholine-4-carboximidamide
CID 111043624
N'-[2-(3-fluorophenoxy)butyl]thiomorpholine-4-carboximidamide
CID 111970223
N'-[2-(2-fluorophenoxy)butyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111752691
N'-(2-phenoxypropyl)morpholine-4-carboximidamide
CID 111801506
N'-[2-(2-methoxyphenoxy)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111820606
1-butyl-2-[2-(2-fluorophenoxy)propyl]guanidine
CID 111684162
N'-[2-(4-fluorophenoxy)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111465592
N'-[(4-fluoro-3-methylphenyl)methyl]thiomorpholine-4-carboximidamide
CID 111038549

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-fluorophenoxy)propyl]thiomorpholine-4-carboximidamide?
The IUPAC name of N'-[2-(2-fluorophenoxy)propyl]thiomorpholine-4-carboximidamide (CID 111820650) is N'-[2-(2-fluorophenoxy)propyl]thiomorpholine-4-carboximidamide.
What is the SMILES notation for N'-[2-(2-fluorophenoxy)propyl]thiomorpholine-4-carboximidamide?
The canonical SMILES for N'-[2-(2-fluorophenoxy)propyl]thiomorpholine-4-carboximidamide is CC(C/N=C(\N)N1CCSCC1)Oc1ccccc1F.
What is the InChIKey of N'-[2-(2-fluorophenoxy)propyl]thiomorpholine-4-carboximidamide?
The InChIKey is BVRXZPIXCPOMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3OS/c1-11(19-13-5-3-2-4-12(13)15)10-17-14(16)18-6-8-20-9-7-18/h2-5,11H,6-10H2,1H3,(H2,16,17).
What are the key properties of N'-[2-(2-fluorophenoxy)propyl]thiomorpholine-4-carboximidamide?
N'-[2-(2-fluorophenoxy)propyl]thiomorpholine-4-carboximidamide has a molecular weight of 297.40 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-fluorophenoxy)propyl]thiomorpholine-4-carboximidamide is sourced from PubChem (CID 111820650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).