4-ethoxy-N'-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-1-carboximidamide

C14H24N4O3S2 — CID 111958145

IUPAC4-ethoxy-N'-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-1-carboximidamide
SMILESCCOC1CCN(/C(=N/C)NCc2ccc(S(N)(=O)=O)s2)CC1
InChIInChI=1S/C14H24N4O3S2/c1-3-21-11-6-8-18(9-7-11)14(16-2)17-10-12-4-5-13(22-12)23(15,19)20/h4-5,11H,3,6-10H2,1-2H3,(H,16,17)(H2,15,19,20)
InChIKeyOTRSYFOEOMIZOP-UHFFFAOYSA-N
MW360.51 g/mol
LogP0.97
Rot. Bonds5

About 4-ethoxy-N'-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-1-carboximidamide

4-ethoxy-N'-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-1-carboximidamide (PubChem CID 111958145) has the molecular formula C14H24N4O3S2 and a molecular weight of 360.51 g/mol. Its IUPAC name is 4-ethoxy-N'-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-ethoxy-N'-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-1-carboximidamide
PubChem CID111958145
Molecular FormulaC14H24N4O3S2
Molecular Weight360.51 g/mol
Exact Mass360.13
IUPAC Name4-ethoxy-N'-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-1-carboximidamide
SMILESCCOC1CCN(/C(=N/C)NCc2ccc(S(N)(=O)=O)s2)CC1
InChIInChI=1S/C14H24N4O3S2/c1-3-21-11-6-8-18(9-7-11)14(16-2)17-10-12-4-5-13(22-12)23(15,19)20/h4-5,11H,3,6-10H2,1-2H3,(H,16,17)(H2,15,19,20)
InChIKeyOTRSYFOEOMIZOP-UHFFFAOYSA-N
XLogP0.97
TPSA97.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.51
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-acetyl-N'-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]piperazine-1-carboximidamide
CID 119115897
4-ethoxy-N'-methyl-N-[(4-sulfamoylphenyl)methyl]piperidine-1-carboximidamide
CID 111959721
3-(4-methoxyphenyl)-N'-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111731780
N'-methyl-3-(2-methylphenyl)-N-[(5-sulfamoylthiophen-2-yl)methyl]pyrrolidine-1-carboximidamide
CID 119142931
N'-methyl-3-(phenylmethoxymethyl)-N-[(5-sulfamoylthiophen-2-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111527104
2-(3-ethoxycyclobutyl)-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
CID 103164410
4-ethoxy-N'-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-1-carboximidamide
CID 111959237
N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 119130815
4-ethoxy-N'-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]piperidine-1-carboximidamide
CID 111959821
N'-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111958350
N-ethyl-4-phenoxy-N'-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-1-carboximidamide
CID 109427599
4-ethoxy-N-[2-(5-iodothiophen-2-yl)ethyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111959310

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N'-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-1-carboximidamide?
The IUPAC name of 4-ethoxy-N'-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-1-carboximidamide (CID 111958145) is 4-ethoxy-N'-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-1-carboximidamide.
What is the SMILES notation for 4-ethoxy-N'-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-1-carboximidamide?
The canonical SMILES for 4-ethoxy-N'-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-1-carboximidamide is CCOC1CCN(/C(=N/C)NCc2ccc(S(N)(=O)=O)s2)CC1.
What is the InChIKey of 4-ethoxy-N'-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-1-carboximidamide?
The InChIKey is OTRSYFOEOMIZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3S2/c1-3-21-11-6-8-18(9-7-11)14(16-2)17-10-12-4-5-13(22-12)23(15,19)20/h4-5,11H,3,6-10H2,1-2H3,(H,16,17)(H2,15,19,20).
What are the key properties of 4-ethoxy-N'-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-1-carboximidamide?
4-ethoxy-N'-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-1-carboximidamide has a molecular weight of 360.51 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N'-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111958145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).