4-ethoxy-N'-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]piperidine-1-carboximidamide

C17H28N4O3S — CID 111959821

IUPAC4-ethoxy-N'-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]piperidine-1-carboximidamide
SMILESCCOC1CCN(/C(=N\C)NCc2ccc(S(=O)(=O)NC)cc2)CC1
InChIInChI=1S/C17H28N4O3S/c1-4-24-15-9-11-21(12-10-15)17(18-2)20-13-14-5-7-16(8-6-14)25(22,23)19-3/h5-8,15,19H,4,9-13H2,1-3H3,(H,18,20)
InChIKeyOOVKFZTWBYUJHQ-UHFFFAOYSA-N
MW368.50 g/mol
LogP1.17
Rot. Bonds6

About 4-ethoxy-N'-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]piperidine-1-carboximidamide

4-ethoxy-N'-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]piperidine-1-carboximidamide (PubChem CID 111959821) has the molecular formula C17H28N4O3S and a molecular weight of 368.50 g/mol. Its IUPAC name is 4-ethoxy-N'-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-ethoxy-N'-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]piperidine-1-carboximidamide
PubChem CID111959821
Molecular FormulaC17H28N4O3S
Molecular Weight368.50 g/mol
Exact Mass368.19
IUPAC Name4-ethoxy-N'-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]piperidine-1-carboximidamide
SMILESCCOC1CCN(/C(=N\C)NCc2ccc(S(=O)(=O)NC)cc2)CC1
InChIInChI=1S/C17H28N4O3S/c1-4-24-15-9-11-21(12-10-15)17(18-2)20-13-14-5-7-16(8-6-14)25(22,23)19-3/h5-8,15,19H,4,9-13H2,1-3H3,(H,18,20)
InChIKeyOOVKFZTWBYUJHQ-UHFFFAOYSA-N
XLogP1.17
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 51.17
H-Bond Donors ≤ 52
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-ethoxy-N'-methyl-N-[(4-sulfamoylphenyl)methyl]piperidine-1-carboximidamide
CID 111959721
3-(methoxymethyl)-N'-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111735388
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111958580
N'-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111722898
2-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide
CID 111959622
3-(2-methoxyethoxymethyl)-N'-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]pyrrolidine-1-carboximidamide
CID 111745881
N'-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110961646
N-benzyl-3-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]propanamide
CID 111960875
4-benzyl-N'-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]piperazine-1-carboximidamide;hydroiodide
CID 110960184
4-ethoxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N'-methylpiperidine-1-carboximidamide
CID 111960731
4-ethoxy-N'-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide
CID 111959067
4-ethoxy-N-[(3-fluoro-4-methoxyphenyl)methyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111958268

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N'-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]piperidine-1-carboximidamide?
The IUPAC name of 4-ethoxy-N'-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]piperidine-1-carboximidamide (CID 111959821) is 4-ethoxy-N'-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]piperidine-1-carboximidamide.
What is the SMILES notation for 4-ethoxy-N'-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]piperidine-1-carboximidamide?
The canonical SMILES for 4-ethoxy-N'-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]piperidine-1-carboximidamide is CCOC1CCN(/C(=N\C)NCc2ccc(S(=O)(=O)NC)cc2)CC1.
What is the InChIKey of 4-ethoxy-N'-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]piperidine-1-carboximidamide?
The InChIKey is OOVKFZTWBYUJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3S/c1-4-24-15-9-11-21(12-10-15)17(18-2)20-13-14-5-7-16(8-6-14)25(22,23)19-3/h5-8,15,19H,4,9-13H2,1-3H3,(H,18,20).
What are the key properties of 4-ethoxy-N'-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]piperidine-1-carboximidamide?
4-ethoxy-N'-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]piperidine-1-carboximidamide has a molecular weight of 368.50 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N'-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111959821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).