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

C15H24IN3O2S — CID 110956071

IUPACN'-[2-(benzenesulfonyl)ethyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCS(=O)(=O)c1ccccc1)N1CCCC1.I
InChIInChI=1S/C15H23N3O2S.HI/c1-2-16-15(18-11-6-7-12-18)17-10-13-21(19,20)14-8-4-3-5-9-14;/h3-5,8-9H,2,6-7,10-13H2,1H3,(H,16,17);1H
InChIKeyZQHWNPMAIBPLIQ-UHFFFAOYSA-N
MW437.35 g/mol
LogP2.14
Rot. Bonds5

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

N'-[2-(benzenesulfonyl)ethyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 110956071) has the molecular formula C15H24IN3O2S and a molecular weight of 437.35 g/mol. Its IUPAC name is N'-[2-(benzenesulfonyl)ethyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(benzenesulfonyl)ethyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide
PubChem CID110956071
Molecular FormulaC15H24IN3O2S
Molecular Weight437.35 g/mol
Exact Mass437.06
IUPAC NameN'-[2-(benzenesulfonyl)ethyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCS(=O)(=O)c1ccccc1)N1CCCC1.I
InChIInChI=1S/C15H23N3O2S.HI/c1-2-16-15(18-11-6-7-12-18)17-10-13-21(19,20)14-8-4-3-5-9-14;/h3-5,8-9H,2,6-7,10-13H2,1H3,(H,16,17);1H
InChIKeyZQHWNPMAIBPLIQ-UHFFFAOYSA-N
XLogP2.14
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.35
LogP ≤ 52.14
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-(4-tert-butylphenyl)sulfonylethyl]-N-ethylpyrrolidine-1-carboximidamide
CID 111758742
(3R)-N'-[2-(benzenesulfonyl)ethyl]-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide;hydroiodide
CID 111550027
N'-[2-(benzenesulfonyl)ethyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide
CID 119119073
N'-[2-(benzenesulfonyl)ethyl]-N-ethyl-4-(4-methoxyphenyl)piperazine-1-carboximidamide;hydroiodide
CID 111243288
N'-[3-(benzenesulfonyl)propyl]-N-ethyl-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111210234
N'-[2-(benzenesulfonyl)ethyl]-N-ethyl-2,2-dimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109488625
N'-[2-(benzylsulfamoyl)ethyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide
CID 110955715
N'-[3-(benzenesulfonyl)propyl]-4-benzyl-N-ethylpiperazine-1-carboximidamide;hydroiodide
CID 110959708
N'-[2-(benzenesulfonyl)ethyl]-3-benzyl-N-ethylpyrrolidine-1-carboximidamide
CID 111724557
N'-(3-benzylsulfonylpropyl)-N-ethylpyrrolidine-1-carboximidamide;hydroiodide
CID 110956201
ethyl 1-[N'-[3-(benzenesulfonyl)propyl]-N-ethylcarbamimidoyl]piperidine-3-carboxylate
CID 110993515
N'-[2-(benzenesulfonyl)ethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480604

Frequently Asked Questions

What is the IUPAC name of N'-[2-(benzenesulfonyl)ethyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(benzenesulfonyl)ethyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide (CID 110956071) is N'-[2-(benzenesulfonyl)ethyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(benzenesulfonyl)ethyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(benzenesulfonyl)ethyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide is CCN/C(=N\CCS(=O)(=O)c1ccccc1)N1CCCC1.I.
What is the InChIKey of N'-[2-(benzenesulfonyl)ethyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is ZQHWNPMAIBPLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S.HI/c1-2-16-15(18-11-6-7-12-18)17-10-13-21(19,20)14-8-4-3-5-9-14;/h3-5,8-9H,2,6-7,10-13H2,1H3,(H,16,17);1H.
What are the key properties of N'-[2-(benzenesulfonyl)ethyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide?
N'-[2-(benzenesulfonyl)ethyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 437.35 g/mol, XLogP of 2.14, 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-ethylpyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110956071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).