N'-[[4-(methylsulfamoyl)phenyl]methyl]-N-phenylpiperidine-1-carboximidamide

C20H26N4O2S — CID 111046434

IUPACN'-[[4-(methylsulfamoyl)phenyl]methyl]-N-phenylpiperidine-1-carboximidamide
SMILESCNS(=O)(=O)c1ccc(C/N=C(\Nc2ccccc2)N2CCCCC2)cc1
InChIInChI=1S/C20H26N4O2S/c1-21-27(25,26)19-12-10-17(11-13-19)16-22-20(24-14-6-3-7-15-24)23-18-8-4-2-5-9-18/h2,4-5,8-13,21H,3,6-7,14-16H2,1H3,(H,22,23)
InChIKeyBKRWYCNYRILVNU-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.05
Rot. Bonds5

About N'-[[4-(methylsulfamoyl)phenyl]methyl]-N-phenylpiperidine-1-carboximidamide

N'-[[4-(methylsulfamoyl)phenyl]methyl]-N-phenylpiperidine-1-carboximidamide (PubChem CID 111046434) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is N'-[[4-(methylsulfamoyl)phenyl]methyl]-N-phenylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[[4-(methylsulfamoyl)phenyl]methyl]-N-phenylpiperidine-1-carboximidamide
PubChem CID111046434
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC NameN'-[[4-(methylsulfamoyl)phenyl]methyl]-N-phenylpiperidine-1-carboximidamide
SMILESCNS(=O)(=O)c1ccc(C/N=C(\Nc2ccccc2)N2CCCCC2)cc1
InChIInChI=1S/C20H26N4O2S/c1-21-27(25,26)19-12-10-17(11-13-19)16-22-20(24-14-6-3-7-15-24)23-18-8-4-2-5-9-18/h2,4-5,8-13,21H,3,6-7,14-16H2,1H3,(H,22,23)
InChIKeyBKRWYCNYRILVNU-UHFFFAOYSA-N
XLogP3.05
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.05
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'}

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Related Compounds

N'-benzyl-N-phenylpyrrolidine-1-carboximidamide
CID 12889972
2-[[4-(methylsulfamoyl)phenyl]methyl]-1-phenylguanidine;hydroiodide
CID 110893252
N'-[(2-fluoro-5-methylsulfonylphenyl)methyl]-N-phenylpiperidine-1-carboximidamide
CID 120762537
N'-[2-(benzenesulfonyl)ethyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide
CID 119119073
N-phenyl-N'-[(3,4,5-trimethoxyphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111033624
3-[[[anilino(piperidin-1-yl)methylidene]amino]methyl]-N-ethylbenzamide
CID 111071160
N'-[2-(4-methylsulfonylphenoxy)ethyl]-N-phenylpiperidine-1-carboximidamide
CID 111804994
3-benzyl-N-ethyl-N'-[[4-(methylsulfamoyl)phenyl]methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111724522
N'-[2-(benzylsulfamoyl)ethyl]-N-phenylpiperidine-1-carboximidamide
CID 111062413
N-ethyl-N'-[[4-(methylsulfamoyl)phenyl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 111263359
N'-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-N-phenylpiperidine-1-carboximidamide
CID 111052747
N'-[2-(dimethylamino)-2-methylpropyl]-N-phenylpiperidine-1-carboximidamide
CID 111028734

Frequently Asked Questions

What is the IUPAC name of N'-[[4-(methylsulfamoyl)phenyl]methyl]-N-phenylpiperidine-1-carboximidamide?
The IUPAC name of N'-[[4-(methylsulfamoyl)phenyl]methyl]-N-phenylpiperidine-1-carboximidamide (CID 111046434) is N'-[[4-(methylsulfamoyl)phenyl]methyl]-N-phenylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[[4-(methylsulfamoyl)phenyl]methyl]-N-phenylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[[4-(methylsulfamoyl)phenyl]methyl]-N-phenylpiperidine-1-carboximidamide is CNS(=O)(=O)c1ccc(C/N=C(\Nc2ccccc2)N2CCCCC2)cc1.
What is the InChIKey of N'-[[4-(methylsulfamoyl)phenyl]methyl]-N-phenylpiperidine-1-carboximidamide?
The InChIKey is BKRWYCNYRILVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-21-27(25,26)19-12-10-17(11-13-19)16-22-20(24-14-6-3-7-15-24)23-18-8-4-2-5-9-18/h2,4-5,8-13,21H,3,6-7,14-16H2,1H3,(H,22,23).
What are the key properties of N'-[[4-(methylsulfamoyl)phenyl]methyl]-N-phenylpiperidine-1-carboximidamide?
N'-[[4-(methylsulfamoyl)phenyl]methyl]-N-phenylpiperidine-1-carboximidamide has a molecular weight of 386.52 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-(methylsulfamoyl)phenyl]methyl]-N-phenylpiperidine-1-carboximidamide is sourced from PubChem (CID 111046434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).