N-ethyl-N'-[2-(methanesulfonamido)-2-methylpropyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide

C19H33IN4O3S — CID 109426107

IUPACN-ethyl-N'-[2-(methanesulfonamido)-2-methylpropyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC(C)(C)NS(C)(=O)=O)N1CCC(Oc2ccccc2)CC1.I
InChIInChI=1S/C19H32N4O3S.HI/c1-5-20-18(21-15-19(2,3)22-27(4,24)25)23-13-11-17(12-14-23)26-16-9-7-6-8-10-16;/h6-10,17,22H,5,11-15H2,1-4H3,(H,20,21);1H
InChIKeyWGSRRFIQZPITIQ-UHFFFAOYSA-N
MW524.47 g/mol
LogP2.44
Rot. Bonds7

About N-ethyl-N'-[2-(methanesulfonamido)-2-methylpropyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide

N-ethyl-N'-[2-(methanesulfonamido)-2-methylpropyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide (PubChem CID 109426107) has the molecular formula C19H33IN4O3S and a molecular weight of 524.47 g/mol. Its IUPAC name is N-ethyl-N'-[2-(methanesulfonamido)-2-methylpropyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-N'-[2-(methanesulfonamido)-2-methylpropyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide
PubChem CID109426107
Molecular FormulaC19H33IN4O3S
Molecular Weight524.47 g/mol
Exact Mass524.13
IUPAC NameN-ethyl-N'-[2-(methanesulfonamido)-2-methylpropyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC(C)(C)NS(C)(=O)=O)N1CCC(Oc2ccccc2)CC1.I
InChIInChI=1S/C19H32N4O3S.HI/c1-5-20-18(21-15-19(2,3)22-27(4,24)25)23-13-11-17(12-14-23)26-16-9-7-6-8-10-16;/h6-10,17,22H,5,11-15H2,1-4H3,(H,20,21);1H
InChIKeyWGSRRFIQZPITIQ-UHFFFAOYSA-N
XLogP2.44
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.47
LogP ≤ 52.44
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

N-ethyl-N'-[3-(methanesulfonamido)propyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109428216
N-ethyl-N'-[2-(2-methylsulfonylethoxy)ethyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426117
N-ethyl-N'-[2-(methanesulfonamido)-2-methylpropyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111779172
N'-(2-cyclopropylethyl)-N-ethyl-4-phenoxypiperidine-1-carboximidamide
CID 109426874
N'-(2,2-diethyl-4-hydroxybutyl)-N-ethyl-4-phenoxypiperidine-1-carboximidamide
CID 109427211
N'-[3-(dimethylamino)propyl]-N-ethyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109427920
N'-[2-(benzylsulfamoyl)ethyl]-N-ethyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426149
N'-[7-(dimethylamino)heptyl]-N-ethyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109427634
N-[2-[[ethylamino-(4-phenoxypiperidin-1-yl)methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 109426489
3-[[ethylamino-(4-phenoxypiperidin-1-yl)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 109427886
N-ethyl-4-phenoxy-N'-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-1-carboximidamide
CID 109427599
N'-[2-[butan-2-yl(methyl)amino]ethyl]-N-ethyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426561

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[2-(methanesulfonamido)-2-methylpropyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-N'-[2-(methanesulfonamido)-2-methylpropyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide (CID 109426107) is N-ethyl-N'-[2-(methanesulfonamido)-2-methylpropyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-N'-[2-(methanesulfonamido)-2-methylpropyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-N'-[2-(methanesulfonamido)-2-methylpropyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide is CCN/C(=N\CC(C)(C)NS(C)(=O)=O)N1CCC(Oc2ccccc2)CC1.I.
What is the InChIKey of N-ethyl-N'-[2-(methanesulfonamido)-2-methylpropyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide?
The InChIKey is WGSRRFIQZPITIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O3S.HI/c1-5-20-18(21-15-19(2,3)22-27(4,24)25)23-13-11-17(12-14-23)26-16-9-7-6-8-10-16;/h6-10,17,22H,5,11-15H2,1-4H3,(H,20,21);1H.
What are the key properties of N-ethyl-N'-[2-(methanesulfonamido)-2-methylpropyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide?
N-ethyl-N'-[2-(methanesulfonamido)-2-methylpropyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide has a molecular weight of 524.47 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[2-(methanesulfonamido)-2-methylpropyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109426107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).