4-benzylidene-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-N'-methylpiperidine-1-carboximidamide

C22H34N4O3S — CID 109414302

IUPAC4-benzylidene-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-N'-methylpiperidine-1-carboximidamide
SMILESC/N=C(/NCCS(=O)(=O)N1CC(C)OC(C)C1)N1CCC(=Cc2ccccc2)CC1
InChIInChI=1S/C22H34N4O3S/c1-18-16-26(17-19(2)29-18)30(27,28)14-11-24-22(23-3)25-12-9-21(10-13-25)15-20-7-5-4-6-8-20/h4-8,15,18-19H,9-14,16-17H2,1-3H3,(H,23,24)
InChIKeyBBTWKFZODPFUGC-UHFFFAOYSA-N
MW434.61 g/mol
LogP2.18
Rot. Bonds5

About 4-benzylidene-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-N'-methylpiperidine-1-carboximidamide

4-benzylidene-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-N'-methylpiperidine-1-carboximidamide (PubChem CID 109414302) has the molecular formula C22H34N4O3S and a molecular weight of 434.61 g/mol. Its IUPAC name is 4-benzylidene-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-N'-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound Name4-benzylidene-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-N'-methylpiperidine-1-carboximidamide
PubChem CID109414302
Molecular FormulaC22H34N4O3S
Molecular Weight434.61 g/mol
Exact Mass434.24
IUPAC Name4-benzylidene-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-N'-methylpiperidine-1-carboximidamide
SMILESC/N=C(/NCCS(=O)(=O)N1CC(C)OC(C)C1)N1CCC(=Cc2ccccc2)CC1
InChIInChI=1S/C22H34N4O3S/c1-18-16-26(17-19(2)29-18)30(27,28)14-11-24-22(23-3)25-12-9-21(10-13-25)15-20-7-5-4-6-8-20/h4-8,15,18-19H,9-14,16-17H2,1-3H3,(H,23,24)
InChIKeyBBTWKFZODPFUGC-UHFFFAOYSA-N
XLogP2.18
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.61
LogP ≤ 52.18
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

4-benzylidene-N-(2-ethylsulfonylethyl)-N'-methylpiperidine-1-carboximidamide
CID 109414255
4-benzylidene-N'-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 109414678
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-N',3-dimethylpiperidine-1-carboximidamide
CID 111145986
N-[2-[[C-(4-benzylidenepiperidin-1-yl)-N-methylcarbonimidoyl]amino]ethyl]benzamide
CID 109414731
3-[[C-(4-benzylidenepiperidin-1-yl)-N-methylcarbonimidoyl]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 109414472
4-benzylidene-N-(3-methoxypropyl)-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 109415037
4-benzylidene-N-(2-ethoxyethyl)-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 109415315
4-benzylidene-N-(2,2-difluoroethyl)-N'-methylpiperidine-1-carboximidamide
CID 109414843
1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2-methyl-3-(2-phenylpropyl)guanidine
CID 111343423
4-benzylidene-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 109414303
2-[[C-(4-benzylidenepiperidin-1-yl)-N-methylcarbonimidoyl]amino]-N-propylacetamide;hydroiodide
CID 109414496
4-benzylidene-N'-methyl-N-(2-oxo-2-piperidin-1-ylethyl)piperidine-1-carboximidamide;hydroiodide
CID 109415055

Frequently Asked Questions

What is the IUPAC name of 4-benzylidene-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-N'-methylpiperidine-1-carboximidamide?
The IUPAC name of 4-benzylidene-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-N'-methylpiperidine-1-carboximidamide (CID 109414302) is 4-benzylidene-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-N'-methylpiperidine-1-carboximidamide.
What is the SMILES notation for 4-benzylidene-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-N'-methylpiperidine-1-carboximidamide?
The canonical SMILES for 4-benzylidene-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-N'-methylpiperidine-1-carboximidamide is C/N=C(/NCCS(=O)(=O)N1CC(C)OC(C)C1)N1CCC(=Cc2ccccc2)CC1.
What is the InChIKey of 4-benzylidene-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-N'-methylpiperidine-1-carboximidamide?
The InChIKey is BBTWKFZODPFUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O3S/c1-18-16-26(17-19(2)29-18)30(27,28)14-11-24-22(23-3)25-12-9-21(10-13-25)15-20-7-5-4-6-8-20/h4-8,15,18-19H,9-14,16-17H2,1-3H3,(H,23,24).
What are the key properties of 4-benzylidene-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-N'-methylpiperidine-1-carboximidamide?
4-benzylidene-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-N'-methylpiperidine-1-carboximidamide has a molecular weight of 434.61 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylidene-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-N'-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 109414302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).