N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide

C20H35IN4O2S — CID 111153838

IUPACN-[[2-(tert-butylsulfamoyl)phenyl]methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCc1ccccc1S(=O)(=O)NC(C)(C)C)N1CC(C)CC(C)C1.I
InChIInChI=1S/C20H34N4O2S.HI/c1-15-11-16(2)14-24(13-15)19(21-6)22-12-17-9-7-8-10-18(17)27(25,26)23-20(3,4)5;/h7-10,15-16,23H,11-14H2,1-6H3,(H,21,22);1H
InChIKeyVIWYSKIECYDXAG-UHFFFAOYSA-N
MW522.50 g/mol
LogP3.43
Rot. Bonds4

About N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide

N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 111153838) has the molecular formula C20H35IN4O2S and a molecular weight of 522.50 g/mol. Its IUPAC name is N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[[2-(tert-butylsulfamoyl)phenyl]methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
PubChem CID111153838
Molecular FormulaC20H35IN4O2S
Molecular Weight522.50 g/mol
Exact Mass522.15
IUPAC NameN-[[2-(tert-butylsulfamoyl)phenyl]methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCc1ccccc1S(=O)(=O)NC(C)(C)C)N1CC(C)CC(C)C1.I
InChIInChI=1S/C20H34N4O2S.HI/c1-15-11-16(2)14-24(13-15)19(21-6)22-12-17-9-7-8-10-18(17)27(25,26)23-20(3,4)5;/h7-10,15-16,23H,11-14H2,1-6H3,(H,21,22);1H
InChIKeyVIWYSKIECYDXAG-UHFFFAOYSA-N
XLogP3.43
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.50
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[[2-(tert-butylsulfamoyl)phenyl]methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111958398
ethyl 1-[N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-N'-methylcarbamimidoyl]piperidine-3-carboxylate;hydroiodide
CID 110993236
1-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111961234
1-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111228356
1-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111266790
N',3,5-trimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111153568
N-[2-(benzenesulfonyl)ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
CID 111154439
1-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-methyl-3-[(4-methylphenyl)methyl]guanidine
CID 111245325
1-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-hexyl-2-methylguanidine;hydroiodide
CID 111161384
1-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-(1,1-dioxothiolan-3-yl)-2-methylguanidine;hydroiodide
CID 111141924
N-tert-butyl-2-[[N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111384547
N',3-dimethyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111145517

Frequently Asked Questions

What is the IUPAC name of N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide (CID 111153838) is N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide is C/N=C(/NCc1ccccc1S(=O)(=O)NC(C)(C)C)N1CC(C)CC(C)C1.I.
What is the InChIKey of N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is VIWYSKIECYDXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O2S.HI/c1-15-11-16(2)14-24(13-15)19(21-6)22-12-17-9-7-8-10-18(17)27(25,26)23-20(3,4)5;/h7-10,15-16,23H,11-14H2,1-6H3,(H,21,22);1H.
What are the key properties of N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide?
N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 522.50 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111153838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).