4-ethoxy-N-[2-[(3-fluoro-4-methylphenyl)sulfamoyl]ethyl]-N'-methylpiperidine-1-carboximidamide

C18H29FN4O3S — CID 111958291

IUPAC4-ethoxy-N-[2-[(3-fluoro-4-methylphenyl)sulfamoyl]ethyl]-N'-methylpiperidine-1-carboximidamide
SMILESCCOC1CCN(/C(=N\C)NCCS(=O)(=O)Nc2ccc(C)c(F)c2)CC1
InChIInChI=1S/C18H29FN4O3S/c1-4-26-16-7-10-23(11-8-16)18(20-3)21-9-12-27(24,25)22-15-6-5-14(2)17(19)13-15/h5-6,13,16,22H,4,7-12H2,1-3H3,(H,20,21)
InChIKeyBDHDOJBGPVWEDA-UHFFFAOYSA-N
MW400.52 g/mol
LogP1.95
Rot. Bonds7

About 4-ethoxy-N-[2-[(3-fluoro-4-methylphenyl)sulfamoyl]ethyl]-N'-methylpiperidine-1-carboximidamide

4-ethoxy-N-[2-[(3-fluoro-4-methylphenyl)sulfamoyl]ethyl]-N'-methylpiperidine-1-carboximidamide (PubChem CID 111958291) has the molecular formula C18H29FN4O3S and a molecular weight of 400.52 g/mol. Its IUPAC name is 4-ethoxy-N-[2-[(3-fluoro-4-methylphenyl)sulfamoyl]ethyl]-N'-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-[(3-fluoro-4-methylphenyl)sulfamoyl]ethyl]-N'-methylpiperidine-1-carboximidamide
PubChem CID111958291
Molecular FormulaC18H29FN4O3S
Molecular Weight400.52 g/mol
Exact Mass400.19
IUPAC Name4-ethoxy-N-[2-[(3-fluoro-4-methylphenyl)sulfamoyl]ethyl]-N'-methylpiperidine-1-carboximidamide
SMILESCCOC1CCN(/C(=N\C)NCCS(=O)(=O)Nc2ccc(C)c(F)c2)CC1
InChIInChI=1S/C18H29FN4O3S/c1-4-26-16-7-10-23(11-8-16)18(20-3)21-9-12-27(24,25)22-15-6-5-14(2)17(19)13-15/h5-6,13,16,22H,4,7-12H2,1-3H3,(H,20,21)
InChIKeyBDHDOJBGPVWEDA-UHFFFAOYSA-N
XLogP1.95
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 51.95
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-[2-[(3-fluoro-4-methylphenyl)sulfamoyl]ethyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111958290
N-ethyl-N'-[2-[(3-fluoro-4-methylphenyl)sulfamoyl]ethyl]-4-methylpiperidine-1-carboximidamide
CID 111210959
1-(cyclopropylmethyl)-3-[2-[(3-fluoro-4-methylphenyl)sulfamoyl]ethyl]-2-methylguanidine;hydroiodide
CID 111867717
(3R)-N-ethyl-N'-[2-[(3-fluoro-4-methylphenyl)sulfamoyl]ethyl]-3-hydroxypyrrolidine-1-carboximidamide
CID 111550332
1-(3-butoxypropyl)-3-[2-[(3-fluoro-4-methylphenyl)sulfamoyl]ethyl]-2-methylguanidine;hydroiodide
CID 111240492
1-[3-(cyclopropylmethoxy)propyl]-3-[2-[(3-fluoro-4-methylphenyl)sulfamoyl]ethyl]-2-methylguanidine;hydroiodide
CID 111391874
4-ethoxy-N-[4-(4-fluorophenoxy)butyl]-N'-methylpiperidine-1-carboximidamide
CID 111958249
4-ethoxy-N'-methyl-N-[2-(4-nitroanilino)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111959186
4-ethoxy-N'-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide
CID 111959903
N-[2-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]ethyl]-3-methylbenzamide
CID 111959723
4-ethoxy-N'-methyl-N-(2-phenoxyethyl)piperidine-1-carboximidamide;hydroiodide
CID 111958946
N-[2-(2,6-dichlorophenyl)ethyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 111960837

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-[(3-fluoro-4-methylphenyl)sulfamoyl]ethyl]-N'-methylpiperidine-1-carboximidamide?
The IUPAC name of 4-ethoxy-N-[2-[(3-fluoro-4-methylphenyl)sulfamoyl]ethyl]-N'-methylpiperidine-1-carboximidamide (CID 111958291) is 4-ethoxy-N-[2-[(3-fluoro-4-methylphenyl)sulfamoyl]ethyl]-N'-methylpiperidine-1-carboximidamide.
What is the SMILES notation for 4-ethoxy-N-[2-[(3-fluoro-4-methylphenyl)sulfamoyl]ethyl]-N'-methylpiperidine-1-carboximidamide?
The canonical SMILES for 4-ethoxy-N-[2-[(3-fluoro-4-methylphenyl)sulfamoyl]ethyl]-N'-methylpiperidine-1-carboximidamide is CCOC1CCN(/C(=N\C)NCCS(=O)(=O)Nc2ccc(C)c(F)c2)CC1.
What is the InChIKey of 4-ethoxy-N-[2-[(3-fluoro-4-methylphenyl)sulfamoyl]ethyl]-N'-methylpiperidine-1-carboximidamide?
The InChIKey is BDHDOJBGPVWEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN4O3S/c1-4-26-16-7-10-23(11-8-16)18(20-3)21-9-12-27(24,25)22-15-6-5-14(2)17(19)13-15/h5-6,13,16,22H,4,7-12H2,1-3H3,(H,20,21).
What are the key properties of 4-ethoxy-N-[2-[(3-fluoro-4-methylphenyl)sulfamoyl]ethyl]-N'-methylpiperidine-1-carboximidamide?
4-ethoxy-N-[2-[(3-fluoro-4-methylphenyl)sulfamoyl]ethyl]-N'-methylpiperidine-1-carboximidamide has a molecular weight of 400.52 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-[(3-fluoro-4-methylphenyl)sulfamoyl]ethyl]-N'-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 111958291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).