N'-[2-(4-fluorophenyl)sulfonylethyl]-3-methylpiperidine-1-carboximidamide

C15H22FN3O2S — CID 86779414

IUPACN'-[2-(4-fluorophenyl)sulfonylethyl]-3-methylpiperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/CCS(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C15H22FN3O2S/c1-12-3-2-9-19(11-12)15(17)18-8-10-22(20,21)14-6-4-13(16)5-7-14/h4-7,12H,2-3,8-11H2,1H3,(H2,17,18)
InChIKeyNZOOBVJKRLRGQR-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.65
Rot. Bonds4

About N'-[2-(4-fluorophenyl)sulfonylethyl]-3-methylpiperidine-1-carboximidamide

N'-[2-(4-fluorophenyl)sulfonylethyl]-3-methylpiperidine-1-carboximidamide (PubChem CID 86779414) has the molecular formula C15H22FN3O2S and a molecular weight of 327.43 g/mol. Its IUPAC name is N'-[2-(4-fluorophenyl)sulfonylethyl]-3-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(4-fluorophenyl)sulfonylethyl]-3-methylpiperidine-1-carboximidamide
PubChem CID86779414
Molecular FormulaC15H22FN3O2S
Molecular Weight327.43 g/mol
Exact Mass327.14
IUPAC NameN'-[2-(4-fluorophenyl)sulfonylethyl]-3-methylpiperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/CCS(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C15H22FN3O2S/c1-12-3-2-9-19(11-12)15(17)18-8-10-22(20,21)14-6-4-13(16)5-7-14/h4-7,12H,2-3,8-11H2,1H3,(H2,17,18)
InChIKeyNZOOBVJKRLRGQR-UHFFFAOYSA-N
XLogP1.65
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.65
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]piperidine-1-carboximidamide
CID 86779416
N'-[2-(4-chlorophenyl)sulfonylethyl]-4-methylpiperidine-1-carboximidamide
CID 119112887
N'-(2-tert-butylsulfonylethyl)-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111812137
N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111062038
N'-[2-(cyclobutylmethylsulfonyl)ethyl]-3-methylpiperidine-1-carboximidamide
CID 86786541
N'-[2-(cyclobutylmethylsulfonyl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 86786540
N'-[2-(4-tert-butylphenyl)sulfonylethyl]piperidine-1-carboximidamide;hydroiodide
CID 111806625
N'-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 111091582
N'-[2-(4-fluorophenyl)sulfonylethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119164664
N'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-carboximidamide
CID 111056533
N'-[2-(4-fluorophenoxy)propyl]-3-methylpiperidine-1-carboximidamide
CID 111820282
3-[2-(4-fluorophenyl)sulfonylethylamino]pyrrolidine-1-carboxamide
CID 154783713

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-fluorophenyl)sulfonylethyl]-3-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-[2-(4-fluorophenyl)sulfonylethyl]-3-methylpiperidine-1-carboximidamide (CID 86779414) is N'-[2-(4-fluorophenyl)sulfonylethyl]-3-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[2-(4-fluorophenyl)sulfonylethyl]-3-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[2-(4-fluorophenyl)sulfonylethyl]-3-methylpiperidine-1-carboximidamide is CC1CCCN(/C(N)=N/CCS(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of N'-[2-(4-fluorophenyl)sulfonylethyl]-3-methylpiperidine-1-carboximidamide?
The InChIKey is NZOOBVJKRLRGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2S/c1-12-3-2-9-19(11-12)15(17)18-8-10-22(20,21)14-6-4-13(16)5-7-14/h4-7,12H,2-3,8-11H2,1H3,(H2,17,18).
What are the key properties of N'-[2-(4-fluorophenyl)sulfonylethyl]-3-methylpiperidine-1-carboximidamide?
N'-[2-(4-fluorophenyl)sulfonylethyl]-3-methylpiperidine-1-carboximidamide has a molecular weight of 327.43 g/mol, XLogP of 1.65, 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]-3-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 86779414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).