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

C16H26N4O3S — CID 111959721

IUPAC4-ethoxy-N'-methyl-N-[(4-sulfamoylphenyl)methyl]piperidine-1-carboximidamide
SMILESCCOC1CCN(/C(=N\C)NCc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C16H26N4O3S/c1-3-23-14-8-10-20(11-9-14)16(18-2)19-12-13-4-6-15(7-5-13)24(17,21)22/h4-7,14H,3,8-12H2,1-2H3,(H,18,19)(H2,17,21,22)
InChIKeyXYQNSXUXZAFVDS-UHFFFAOYSA-N
MW354.48 g/mol
LogP0.91
Rot. Bonds5

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

4-ethoxy-N'-methyl-N-[(4-sulfamoylphenyl)methyl]piperidine-1-carboximidamide (PubChem CID 111959721) has the molecular formula C16H26N4O3S and a molecular weight of 354.48 g/mol. Its IUPAC name is 4-ethoxy-N'-methyl-N-[(4-sulfamoylphenyl)methyl]piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-ethoxy-N'-methyl-N-[(4-sulfamoylphenyl)methyl]piperidine-1-carboximidamide
PubChem CID111959721
Molecular FormulaC16H26N4O3S
Molecular Weight354.48 g/mol
Exact Mass354.17
IUPAC Name4-ethoxy-N'-methyl-N-[(4-sulfamoylphenyl)methyl]piperidine-1-carboximidamide
SMILESCCOC1CCN(/C(=N\C)NCc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C16H26N4O3S/c1-3-23-14-8-10-20(11-9-14)16(18-2)19-12-13-4-6-15(7-5-13)24(17,21)22/h4-7,14H,3,8-12H2,1-2H3,(H,18,19)(H2,17,21,22)
InChIKeyXYQNSXUXZAFVDS-UHFFFAOYSA-N
XLogP0.91
TPSA97.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 50.91
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-(methylsulfamoyl)phenyl]methyl]piperidine-1-carboximidamide
CID 111959821
4-ethoxy-N'-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-1-carboximidamide
CID 111958145
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111958580
2-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide
CID 111959622
3-(2-methoxyethoxymethyl)-N'-methyl-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-1-carboximidamide
CID 111746455
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
N-benzyl-3-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]propanamide
CID 111960875
4-ethoxy-N-[(3-fluoro-4-methoxyphenyl)methyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111958268
N',3,3-trimethyl-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111738773
4-ethoxy-N'-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]piperidine-1-carboximidamide
CID 111960271
N'-methyl-4-phenoxy-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 109426393

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N'-methyl-N-[(4-sulfamoylphenyl)methyl]piperidine-1-carboximidamide?
The IUPAC name of 4-ethoxy-N'-methyl-N-[(4-sulfamoylphenyl)methyl]piperidine-1-carboximidamide (CID 111959721) is 4-ethoxy-N'-methyl-N-[(4-sulfamoylphenyl)methyl]piperidine-1-carboximidamide.
What is the SMILES notation for 4-ethoxy-N'-methyl-N-[(4-sulfamoylphenyl)methyl]piperidine-1-carboximidamide?
The canonical SMILES for 4-ethoxy-N'-methyl-N-[(4-sulfamoylphenyl)methyl]piperidine-1-carboximidamide is CCOC1CCN(/C(=N\C)NCc2ccc(S(N)(=O)=O)cc2)CC1.
What is the InChIKey of 4-ethoxy-N'-methyl-N-[(4-sulfamoylphenyl)methyl]piperidine-1-carboximidamide?
The InChIKey is XYQNSXUXZAFVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3S/c1-3-23-14-8-10-20(11-9-14)16(18-2)19-12-13-4-6-15(7-5-13)24(17,21)22/h4-7,14H,3,8-12H2,1-2H3,(H,18,19)(H2,17,21,22).
What are the key properties of 4-ethoxy-N'-methyl-N-[(4-sulfamoylphenyl)methyl]piperidine-1-carboximidamide?
4-ethoxy-N'-methyl-N-[(4-sulfamoylphenyl)methyl]piperidine-1-carboximidamide has a molecular weight of 354.48 g/mol, XLogP of 0.91, 5 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-sulfamoylphenyl)methyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111959721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).