N'-[2-(benzenesulfonyl)ethyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide

C20H26IN3O2S — CID 119119073

IUPACN'-[2-(benzenesulfonyl)ethyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide
SMILESI.O=S(=O)(CC/N=C(\Nc1ccccc1)N1CCCCC1)c1ccccc1
InChIInChI=1S/C20H25N3O2S.HI/c24-26(25,19-12-6-2-7-13-19)17-14-21-20(23-15-8-3-9-16-23)22-18-10-4-1-5-11-18;/h1-2,4-7,10-13H,3,8-9,14-17H2,(H,21,22);1H
InChIKeyRGDNAPCDTDLVJA-UHFFFAOYSA-N
MW499.42 g/mol
LogP4.03
Rot. Bonds5

About N'-[2-(benzenesulfonyl)ethyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide

N'-[2-(benzenesulfonyl)ethyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 119119073) has the molecular formula C20H26IN3O2S and a molecular weight of 499.42 g/mol. Its IUPAC name is N'-[2-(benzenesulfonyl)ethyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(benzenesulfonyl)ethyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide
PubChem CID119119073
Molecular FormulaC20H26IN3O2S
Molecular Weight499.42 g/mol
Exact Mass499.08
IUPAC NameN'-[2-(benzenesulfonyl)ethyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide
SMILESI.O=S(=O)(CC/N=C(\Nc1ccccc1)N1CCCCC1)c1ccccc1
InChIInChI=1S/C20H25N3O2S.HI/c24-26(25,19-12-6-2-7-13-19)17-14-21-20(23-15-8-3-9-16-23)22-18-10-4-1-5-11-18;/h1-2,4-7,10-13H,3,8-9,14-17H2,(H,21,22);1H
InChIKeyRGDNAPCDTDLVJA-UHFFFAOYSA-N
XLogP4.03
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.42
LogP ≤ 54.03
H-Bond Donors ≤ 51
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-(benzenesulfonyl)ethyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide
CID 110956071
N'-[2-(benzylsulfamoyl)ethyl]-N-phenylpiperidine-1-carboximidamide
CID 111062413
N-phenyl-N'-(4-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide;hydroiodide
CID 111059786
N'-[2-(4-methylsulfonylphenoxy)ethyl]-N-phenylpiperidine-1-carboximidamide
CID 111804994
N'-[2-(4-ethylpiperazin-1-yl)ethyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide
CID 111057213
N-[3-[[anilino(piperidin-1-yl)methylidene]amino]propyl]benzamide;hydroiodide
CID 111094094
N'-benzyl-N-phenylpyrrolidine-1-carboximidamide
CID 12889972
2-[[anilino(piperidin-1-yl)methylidene]amino]-N-propylacetamide;hydroiodide
CID 111032173
N-phenyl-N'-(2-pyridin-2-ylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111024708
N'-[[4-(methylsulfamoyl)phenyl]methyl]-N-phenylpiperidine-1-carboximidamide
CID 111046434
2-[[anilino(piperidin-1-yl)methylidene]amino]-N-ethylacetamide;hydroiodide
CID 111032085
N-[2-[[anilino(piperidin-1-yl)methylidene]amino]ethyl]-4-hydroxybenzamide;hydroiodide
CID 111061692

Frequently Asked Questions

What is the IUPAC name of N'-[2-(benzenesulfonyl)ethyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(benzenesulfonyl)ethyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide (CID 119119073) is N'-[2-(benzenesulfonyl)ethyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(benzenesulfonyl)ethyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(benzenesulfonyl)ethyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide is I.O=S(=O)(CC/N=C(\Nc1ccccc1)N1CCCCC1)c1ccccc1.
What is the InChIKey of N'-[2-(benzenesulfonyl)ethyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is RGDNAPCDTDLVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S.HI/c24-26(25,19-12-6-2-7-13-19)17-14-21-20(23-15-8-3-9-16-23)22-18-10-4-1-5-11-18;/h1-2,4-7,10-13H,3,8-9,14-17H2,(H,21,22);1H.
What are the key properties of N'-[2-(benzenesulfonyl)ethyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide?
N'-[2-(benzenesulfonyl)ethyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 499.42 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(benzenesulfonyl)ethyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 119119073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).