4-benzylidene-N-(2-ethylsulfonylethyl)-N'-methylpiperidine-1-carboximidamide

C18H27N3O2S — CID 109414255

IUPAC4-benzylidene-N-(2-ethylsulfonylethyl)-N'-methylpiperidine-1-carboximidamide
SMILESCCS(=O)(=O)CCN/C(=N\C)N1CCC(=Cc2ccccc2)CC1
InChIInChI=1S/C18H27N3O2S/c1-3-24(22,23)14-11-20-18(19-2)21-12-9-17(10-13-21)15-16-7-5-4-6-8-16/h4-8,15H,3,9-14H2,1-2H3,(H,19,20)
InChIKeyDQLVMNLORRJDDK-UHFFFAOYSA-N
MW349.50 g/mol
LogP2.18
Rot. Bonds5

About 4-benzylidene-N-(2-ethylsulfonylethyl)-N'-methylpiperidine-1-carboximidamide

4-benzylidene-N-(2-ethylsulfonylethyl)-N'-methylpiperidine-1-carboximidamide (PubChem CID 109414255) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is 4-benzylidene-N-(2-ethylsulfonylethyl)-N'-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound Name4-benzylidene-N-(2-ethylsulfonylethyl)-N'-methylpiperidine-1-carboximidamide
PubChem CID109414255
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC Name4-benzylidene-N-(2-ethylsulfonylethyl)-N'-methylpiperidine-1-carboximidamide
SMILESCCS(=O)(=O)CCN/C(=N\C)N1CCC(=Cc2ccccc2)CC1
InChIInChI=1S/C18H27N3O2S/c1-3-24(22,23)14-11-20-18(19-2)21-12-9-17(10-13-21)15-16-7-5-4-6-8-16/h4-8,15H,3,9-14H2,1-2H3,(H,19,20)
InChIKeyDQLVMNLORRJDDK-UHFFFAOYSA-N
XLogP2.18
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 52.18
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

4-benzylidene-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-N'-methylpiperidine-1-carboximidamide
CID 109414302
N-[2-[[C-(4-benzylidenepiperidin-1-yl)-N-methylcarbonimidoyl]amino]ethyl]benzamide
CID 109414731
4-benzylidene-N-(2-ethoxyethyl)-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 109415315
4-benzylidene-N'-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 109414678
2-[[C-(4-benzylidenepiperidin-1-yl)-N-methylcarbonimidoyl]amino]-N-propylacetamide;hydroiodide
CID 109414496
4-benzylidene-N-(3-methoxypropyl)-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 109415037
4-benzylidene-N-(2,2-difluoroethyl)-N'-methylpiperidine-1-carboximidamide
CID 109414843
3-[[C-(4-benzylidenepiperidin-1-yl)-N-methylcarbonimidoyl]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 109414472
4-benzylidene-N'-methyl-N-(2-oxo-2-piperidin-1-ylethyl)piperidine-1-carboximidamide;hydroiodide
CID 109415055
4-benzylidene-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 109414303
4-benzylidene-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 109415041
N-[2-[[C-(4-benzylidenepiperidin-1-yl)-N-methylcarbonimidoyl]amino]ethyl]-3-methoxybenzamide;hydroiodide
CID 109415014

Frequently Asked Questions

What is the IUPAC name of 4-benzylidene-N-(2-ethylsulfonylethyl)-N'-methylpiperidine-1-carboximidamide?
The IUPAC name of 4-benzylidene-N-(2-ethylsulfonylethyl)-N'-methylpiperidine-1-carboximidamide (CID 109414255) is 4-benzylidene-N-(2-ethylsulfonylethyl)-N'-methylpiperidine-1-carboximidamide.
What is the SMILES notation for 4-benzylidene-N-(2-ethylsulfonylethyl)-N'-methylpiperidine-1-carboximidamide?
The canonical SMILES for 4-benzylidene-N-(2-ethylsulfonylethyl)-N'-methylpiperidine-1-carboximidamide is CCS(=O)(=O)CCN/C(=N\C)N1CCC(=Cc2ccccc2)CC1.
What is the InChIKey of 4-benzylidene-N-(2-ethylsulfonylethyl)-N'-methylpiperidine-1-carboximidamide?
The InChIKey is DQLVMNLORRJDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-3-24(22,23)14-11-20-18(19-2)21-12-9-17(10-13-21)15-16-7-5-4-6-8-16/h4-8,15H,3,9-14H2,1-2H3,(H,19,20).
What are the key properties of 4-benzylidene-N-(2-ethylsulfonylethyl)-N'-methylpiperidine-1-carboximidamide?
4-benzylidene-N-(2-ethylsulfonylethyl)-N'-methylpiperidine-1-carboximidamide has a molecular weight of 349.50 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylidene-N-(2-ethylsulfonylethyl)-N'-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 109414255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).