4-benzylidene-N-ethyl-N'-[[4-(methylsulfamoylmethyl)phenyl]methyl]piperidine-1-carboximidamide

C24H32N4O2S — CID 109414361

IUPAC4-benzylidene-N-ethyl-N'-[[4-(methylsulfamoylmethyl)phenyl]methyl]piperidine-1-carboximidamide
SMILESCCN/C(=N\Cc1ccc(CS(=O)(=O)NC)cc1)N1CCC(=Cc2ccccc2)CC1
InChIInChI=1S/C24H32N4O2S/c1-3-26-24(27-18-22-9-11-23(12-10-22)19-31(29,30)25-2)28-15-13-21(14-16-28)17-20-7-5-4-6-8-20/h4-12,17,25H,3,13-16,18-19H2,1-2H3,(H,26,27)
InChIKeySUCAWUWBALLLJZ-UHFFFAOYSA-N
MW440.61 g/mol
LogP3.38
Rot. Bonds7

About 4-benzylidene-N-ethyl-N'-[[4-(methylsulfamoylmethyl)phenyl]methyl]piperidine-1-carboximidamide

4-benzylidene-N-ethyl-N'-[[4-(methylsulfamoylmethyl)phenyl]methyl]piperidine-1-carboximidamide (PubChem CID 109414361) has the molecular formula C24H32N4O2S and a molecular weight of 440.61 g/mol. Its IUPAC name is 4-benzylidene-N-ethyl-N'-[[4-(methylsulfamoylmethyl)phenyl]methyl]piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-benzylidene-N-ethyl-N'-[[4-(methylsulfamoylmethyl)phenyl]methyl]piperidine-1-carboximidamide
PubChem CID109414361
Molecular FormulaC24H32N4O2S
Molecular Weight440.61 g/mol
Exact Mass440.22
IUPAC Name4-benzylidene-N-ethyl-N'-[[4-(methylsulfamoylmethyl)phenyl]methyl]piperidine-1-carboximidamide
SMILESCCN/C(=N\Cc1ccc(CS(=O)(=O)NC)cc1)N1CCC(=Cc2ccccc2)CC1
InChIInChI=1S/C24H32N4O2S/c1-3-26-24(27-18-22-9-11-23(12-10-22)19-31(29,30)25-2)28-15-13-21(14-16-28)17-20-7-5-4-6-8-20/h4-12,17,25H,3,13-16,18-19H2,1-2H3,(H,26,27)
InChIKeySUCAWUWBALLLJZ-UHFFFAOYSA-N
XLogP3.38
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.61
LogP ≤ 53.38
H-Bond Donors ≤ 52
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-[[[(4-benzylidenepiperidin-1-yl)-(ethylamino)methylidene]amino]methyl]benzamide;hydroiodide
CID 109414793
N-ethyl-N'-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 110947070
4-[[[(4-benzylidenepiperidin-1-yl)-(ethylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 109414574
N-ethyl-3,5-dimethyl-N'-[[4-(methylsulfamoylmethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111154170
3-[[[(4-benzylidenepiperidin-1-yl)-(ethylamino)methylidene]amino]methyl]-N-methylbenzamide;hydroiodide
CID 109414372
N-ethyl-N'-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-pentan-3-ylpyrrolidine-1-carboximidamide
CID 111744015
4-benzylidene-N-ethyl-N'-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 109415073
3-[[(4-benzylidenepiperidin-1-yl)-(ethylamino)methylidene]amino]-N-propylpropanamide;hydroiodide
CID 109414572
4-acetyl-N'-benzyl-N-ethylpiperazine-1-carboximidamide
CID 110962963
4-benzylidene-N-ethyl-N'-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)piperidine-1-carboximidamide;hydroiodide
CID 109414368
4-benzylidene-N-ethyl-N'-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 109415281
N-ethyl-N'-[[4-(methylsulfonylmethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 110947542

Frequently Asked Questions

What is the IUPAC name of 4-benzylidene-N-ethyl-N'-[[4-(methylsulfamoylmethyl)phenyl]methyl]piperidine-1-carboximidamide?
The IUPAC name of 4-benzylidene-N-ethyl-N'-[[4-(methylsulfamoylmethyl)phenyl]methyl]piperidine-1-carboximidamide (CID 109414361) is 4-benzylidene-N-ethyl-N'-[[4-(methylsulfamoylmethyl)phenyl]methyl]piperidine-1-carboximidamide.
What is the SMILES notation for 4-benzylidene-N-ethyl-N'-[[4-(methylsulfamoylmethyl)phenyl]methyl]piperidine-1-carboximidamide?
The canonical SMILES for 4-benzylidene-N-ethyl-N'-[[4-(methylsulfamoylmethyl)phenyl]methyl]piperidine-1-carboximidamide is CCN/C(=N\Cc1ccc(CS(=O)(=O)NC)cc1)N1CCC(=Cc2ccccc2)CC1.
What is the InChIKey of 4-benzylidene-N-ethyl-N'-[[4-(methylsulfamoylmethyl)phenyl]methyl]piperidine-1-carboximidamide?
The InChIKey is SUCAWUWBALLLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2S/c1-3-26-24(27-18-22-9-11-23(12-10-22)19-31(29,30)25-2)28-15-13-21(14-16-28)17-20-7-5-4-6-8-20/h4-12,17,25H,3,13-16,18-19H2,1-2H3,(H,26,27).
What are the key properties of 4-benzylidene-N-ethyl-N'-[[4-(methylsulfamoylmethyl)phenyl]methyl]piperidine-1-carboximidamide?
4-benzylidene-N-ethyl-N'-[[4-(methylsulfamoylmethyl)phenyl]methyl]piperidine-1-carboximidamide has a molecular weight of 440.61 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylidene-N-ethyl-N'-[[4-(methylsulfamoylmethyl)phenyl]methyl]piperidine-1-carboximidamide is sourced from PubChem (CID 109414361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).