N'-[2-(2-fluorophenyl)sulfonylethyl]morpholine-4-carboximidamide

C13H18FN3O3S — CID 111813018

IUPACN'-[2-(2-fluorophenyl)sulfonylethyl]morpholine-4-carboximidamide
SMILESN/C(=N\CCS(=O)(=O)c1ccccc1F)N1CCOCC1
InChIInChI=1S/C13H18FN3O3S/c14-11-3-1-2-4-12(11)21(18,19)10-5-16-13(15)17-6-8-20-9-7-17/h1-4H,5-10H2,(H2,15,16)
InChIKeyBNXHJYGINOOLIG-UHFFFAOYSA-N
MW315.37 g/mol
LogP0.25
Rot. Bonds4

About N'-[2-(2-fluorophenyl)sulfonylethyl]morpholine-4-carboximidamide

N'-[2-(2-fluorophenyl)sulfonylethyl]morpholine-4-carboximidamide (PubChem CID 111813018) has the molecular formula C13H18FN3O3S and a molecular weight of 315.37 g/mol. Its IUPAC name is N'-[2-(2-fluorophenyl)sulfonylethyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[2-(2-fluorophenyl)sulfonylethyl]morpholine-4-carboximidamide
PubChem CID111813018
Molecular FormulaC13H18FN3O3S
Molecular Weight315.37 g/mol
Exact Mass315.11
IUPAC NameN'-[2-(2-fluorophenyl)sulfonylethyl]morpholine-4-carboximidamide
SMILESN/C(=N\CCS(=O)(=O)c1ccccc1F)N1CCOCC1
InChIInChI=1S/C13H18FN3O3S/c14-11-3-1-2-4-12(11)21(18,19)10-5-16-13(15)17-6-8-20-9-7-17/h1-4H,5-10H2,(H2,15,16)
InChIKeyBNXHJYGINOOLIG-UHFFFAOYSA-N
XLogP0.25
TPSA84.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N'-[2-(benzenesulfonyl)ethyl]morpholine-4-carboximidamide
CID 111065084
N'-(2-ethylsulfonylethyl)morpholine-4-carboximidamide
CID 111100374
N'-(3-benzylsulfonylpropyl)morpholine-4-carboximidamide
CID 111065176
N'-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]morpholine-4-carboximidamide
CID 111083219
N'-[2-(4-fluorophenyl)sulfonylethyl]piperidine-1-carboximidamide
CID 86779416
1,3-diethyl-2-[2-(2-fluorophenyl)sulfonylethyl]guanidine
CID 111179326
N'-(2-phenylsulfanylethyl)morpholine-4-carboximidamide
CID 111033052
N'-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]morpholine-4-carboximidamide;hydroiodide
CID 111752497
N'-[2-(2-fluorophenoxy)propyl]morpholine-4-carboximidamide;hydroiodide
CID 111820619
N'-[2-(2-fluorophenoxy)butyl]morpholine-4-carboximidamide
CID 111752728
N-[2-[[amino(morpholin-4-yl)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide
CID 111091936
N'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 111055482

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-fluorophenyl)sulfonylethyl]morpholine-4-carboximidamide?
The IUPAC name of N'-[2-(2-fluorophenyl)sulfonylethyl]morpholine-4-carboximidamide (CID 111813018) is N'-[2-(2-fluorophenyl)sulfonylethyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[2-(2-fluorophenyl)sulfonylethyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[2-(2-fluorophenyl)sulfonylethyl]morpholine-4-carboximidamide is N/C(=N\CCS(=O)(=O)c1ccccc1F)N1CCOCC1.
What is the InChIKey of N'-[2-(2-fluorophenyl)sulfonylethyl]morpholine-4-carboximidamide?
The InChIKey is BNXHJYGINOOLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O3S/c14-11-3-1-2-4-12(11)21(18,19)10-5-16-13(15)17-6-8-20-9-7-17/h1-4H,5-10H2,(H2,15,16).
What are the key properties of N'-[2-(2-fluorophenyl)sulfonylethyl]morpholine-4-carboximidamide?
N'-[2-(2-fluorophenyl)sulfonylethyl]morpholine-4-carboximidamide has a molecular weight of 315.37 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-fluorophenyl)sulfonylethyl]morpholine-4-carboximidamide is sourced from PubChem (CID 111813018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).