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

C18H30FIN4O3S — CID 111958290

IUPAC4-ethoxy-N-[2-[(3-fluoro-4-methylphenyl)sulfamoyl]ethyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCCOC1CCN(/C(=N\C)NCCS(=O)(=O)Nc2ccc(C)c(F)c2)CC1.I
InChIInChI=1S/C18H29FN4O3S.HI/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);1H
InChIKeySGSQYZFCRMGJFH-UHFFFAOYSA-N
MW528.43 g/mol
LogP2.57
Rot. Bonds7

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

4-ethoxy-N-[2-[(3-fluoro-4-methylphenyl)sulfamoyl]ethyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 111958290) has the molecular formula C18H30FIN4O3S and a molecular weight of 528.43 g/mol. Its IUPAC name is 4-ethoxy-N-[2-[(3-fluoro-4-methylphenyl)sulfamoyl]ethyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-ethoxy-N-[2-[(3-fluoro-4-methylphenyl)sulfamoyl]ethyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
PubChem CID111958290
Molecular FormulaC18H30FIN4O3S
Molecular Weight528.43 g/mol
Exact Mass528.11
IUPAC Name4-ethoxy-N-[2-[(3-fluoro-4-methylphenyl)sulfamoyl]ethyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCCOC1CCN(/C(=N\C)NCCS(=O)(=O)Nc2ccc(C)c(F)c2)CC1.I
InChIInChI=1S/C18H29FN4O3S.HI/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);1H
InChIKeySGSQYZFCRMGJFH-UHFFFAOYSA-N
XLogP2.57
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.43
LogP ≤ 52.57
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-N-[2-[(3-fluoro-4-methylphenyl)sulfamoyl]ethyl]-N'-methylpiperidine-1-carboximidamide
CID 111958291
1-(cyclopropylmethyl)-3-[2-[(3-fluoro-4-methylphenyl)sulfamoyl]ethyl]-2-methylguanidine;hydroiodide
CID 111867717
N-ethyl-N'-[2-[(3-fluoro-4-methylphenyl)sulfamoyl]ethyl]-4-methylpiperidine-1-carboximidamide
CID 111210959
(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'-methyl-N-[2-(4-nitroanilino)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111959186
4-ethoxy-N'-methyl-N-(2-phenoxyethyl)piperidine-1-carboximidamide;hydroiodide
CID 111958946
4-ethoxy-N-[4-(4-fluorophenoxy)butyl]-N'-methylpiperidine-1-carboximidamide
CID 111958249
N-[(2,4-dimethylphenyl)methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111958624
4-ethoxy-N'-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide
CID 111959903
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-[2-[(3-fluoro-4-methylphenyl)sulfamoyl]ethyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-ethoxy-N-[2-[(3-fluoro-4-methylphenyl)sulfamoyl]ethyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide (CID 111958290) is 4-ethoxy-N-[2-[(3-fluoro-4-methylphenyl)sulfamoyl]ethyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-ethoxy-N-[2-[(3-fluoro-4-methylphenyl)sulfamoyl]ethyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-ethoxy-N-[2-[(3-fluoro-4-methylphenyl)sulfamoyl]ethyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide is CCOC1CCN(/C(=N\C)NCCS(=O)(=O)Nc2ccc(C)c(F)c2)CC1.I.
What is the InChIKey of 4-ethoxy-N-[2-[(3-fluoro-4-methylphenyl)sulfamoyl]ethyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is SGSQYZFCRMGJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN4O3S.HI/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);1H.
What are the key properties of 4-ethoxy-N-[2-[(3-fluoro-4-methylphenyl)sulfamoyl]ethyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide?
4-ethoxy-N-[2-[(3-fluoro-4-methylphenyl)sulfamoyl]ethyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 528.43 g/mol, XLogP of 2.57, 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;hydroiodide is sourced from PubChem (CID 111958290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).