N'-[2-(4-fluorophenyl)sulfonylethyl]piperidine-1-carboximidamide

C14H20FN3O2S — CID 86779416

IUPACN'-[2-(4-fluorophenyl)sulfonylethyl]piperidine-1-carboximidamide
SMILESN/C(=N\CCS(=O)(=O)c1ccc(F)cc1)N1CCCCC1
InChIInChI=1S/C14H20FN3O2S/c15-12-4-6-13(7-5-12)21(19,20)11-8-17-14(16)18-9-2-1-3-10-18/h4-7H,1-3,8-11H2,(H2,16,17)
InChIKeyPYYKQWWCAVJYKE-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.40
Rot. Bonds4

About N'-[2-(4-fluorophenyl)sulfonylethyl]piperidine-1-carboximidamide

N'-[2-(4-fluorophenyl)sulfonylethyl]piperidine-1-carboximidamide (PubChem CID 86779416) has the molecular formula C14H20FN3O2S and a molecular weight of 313.40 g/mol. Its IUPAC name is N'-[2-(4-fluorophenyl)sulfonylethyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(4-fluorophenyl)sulfonylethyl]piperidine-1-carboximidamide
PubChem CID86779416
Molecular FormulaC14H20FN3O2S
Molecular Weight313.40 g/mol
Exact Mass313.13
IUPAC NameN'-[2-(4-fluorophenyl)sulfonylethyl]piperidine-1-carboximidamide
SMILESN/C(=N\CCS(=O)(=O)c1ccc(F)cc1)N1CCCCC1
InChIInChI=1S/C14H20FN3O2S/c15-12-4-6-13(7-5-12)21(19,20)11-8-17-14(16)18-9-2-1-3-10-18/h4-7H,1-3,8-11H2,(H2,16,17)
InChIKeyPYYKQWWCAVJYKE-UHFFFAOYSA-N
XLogP1.40
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.40
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

N'-[2-(4-fluorophenyl)sulfonylethyl]-3-methylpiperidine-1-carboximidamide
CID 86779414
N'-[2-(4-tert-butylphenyl)sulfonylethyl]piperidine-1-carboximidamide;hydroiodide
CID 111806625
N'-[2-(4-fluorophenyl)sulfonylethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119164664
N'-[2-(benzenesulfonyl)ethyl]morpholine-4-carboximidamide
CID 111065084
N'-[2-(4-bromophenyl)sulfonylethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111807903
N'-[2-(4-chlorophenyl)sulfonylethyl]-4-methylpiperidine-1-carboximidamide
CID 119112887
2-[2-(4-fluorophenyl)sulfonylethyl]-1,1-dimethylguanidine
CID 119164667
N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide
CID 111043818
N'-[2-(2-fluorophenyl)sulfonylethyl]morpholine-4-carboximidamide
CID 111813018
3-[2-(4-fluorophenyl)sulfonylethylamino]pyrrolidine-1-carboxamide
CID 154783713
N'-[2-(benzenesulfonyl)ethyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide
CID 119119073
N'-[N'-[2-(4-fluorophenyl)ethyl]carbamimidoyl]azepane-1-carboximidamide;hydrochloride
CID 162311545

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-fluorophenyl)sulfonylethyl]piperidine-1-carboximidamide?
The IUPAC name of N'-[2-(4-fluorophenyl)sulfonylethyl]piperidine-1-carboximidamide (CID 86779416) is N'-[2-(4-fluorophenyl)sulfonylethyl]piperidine-1-carboximidamide.
What is the SMILES notation for N'-[2-(4-fluorophenyl)sulfonylethyl]piperidine-1-carboximidamide?
The canonical SMILES for N'-[2-(4-fluorophenyl)sulfonylethyl]piperidine-1-carboximidamide is N/C(=N\CCS(=O)(=O)c1ccc(F)cc1)N1CCCCC1.
What is the InChIKey of N'-[2-(4-fluorophenyl)sulfonylethyl]piperidine-1-carboximidamide?
The InChIKey is PYYKQWWCAVJYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2S/c15-12-4-6-13(7-5-12)21(19,20)11-8-17-14(16)18-9-2-1-3-10-18/h4-7H,1-3,8-11H2,(H2,16,17).
What are the key properties of N'-[2-(4-fluorophenyl)sulfonylethyl]piperidine-1-carboximidamide?
N'-[2-(4-fluorophenyl)sulfonylethyl]piperidine-1-carboximidamide has a molecular weight of 313.40 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-fluorophenyl)sulfonylethyl]piperidine-1-carboximidamide is sourced from PubChem (CID 86779416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).