N-[2-(diethylsulfamoyl)ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide

C14H31IN4O2S — CID 111979734

IUPACN-[2-(diethylsulfamoyl)ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
SMILESCCN(CC)S(=O)(=O)CCN/C(=N\C)N1CCCC(C)C1.I
InChIInChI=1S/C14H30N4O2S.HI/c1-5-18(6-2)21(19,20)11-9-16-14(15-4)17-10-7-8-13(3)12-17;/h13H,5-12H2,1-4H3,(H,15,16);1H
InChIKeyBRPIHMKFRGISQJ-UHFFFAOYSA-N
MW446.40 g/mol
LogP1.58
Rot. Bonds6

About N-[2-(diethylsulfamoyl)ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide

N-[2-(diethylsulfamoyl)ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 111979734) has the molecular formula C14H31IN4O2S and a molecular weight of 446.40 g/mol. Its IUPAC name is N-[2-(diethylsulfamoyl)ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[2-(diethylsulfamoyl)ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
PubChem CID111979734
Molecular FormulaC14H31IN4O2S
Molecular Weight446.40 g/mol
Exact Mass446.12
IUPAC NameN-[2-(diethylsulfamoyl)ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
SMILESCCN(CC)S(=O)(=O)CCN/C(=N\C)N1CCCC(C)C1.I
InChIInChI=1S/C14H30N4O2S.HI/c1-5-18(6-2)21(19,20)11-9-16-14(15-4)17-10-7-8-13(3)12-17;/h13H,5-12H2,1-4H3,(H,15,16);1H
InChIKeyBRPIHMKFRGISQJ-UHFFFAOYSA-N
XLogP1.58
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.40
LogP ≤ 51.58
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

3-(diethylaminomethyl)-N-[2-(diethylsulfamoyl)ethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111996352
N-[2-(diethylsulfamoyl)ethyl]-N'-methyl-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111996288
3-(diethylaminomethyl)-N-[2-(diethylsulfamoyl)ethyl]-N'-methylpyrrolidine-1-carboximidamide
CID 111996353
N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-N',3-dimethylpiperidine-1-carboximidamide
CID 111144326
N-[2-(methanesulfonamido)ethyl]-N',3-dimethylpiperidine-1-carboximidamide
CID 111145038
N-[3-(methanesulfonamido)propyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111145153
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-N',3-dimethylpiperidine-1-carboximidamide
CID 111145986
N',3-dimethyl-N-(2-morpholin-4-ylsulfonylethyl)piperidine-1-carboximidamide
CID 111145570
N',3-dimethyl-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-1-carboximidamide;hydroiodide
CID 111143715
N-(2-ethylsulfonylethyl)-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111210016
N-ethyl-N'-[3-[ethyl(methylsulfonyl)amino]propyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111145493
methyl 3-[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]propanoate
CID 111145348

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylsulfamoyl)ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[2-(diethylsulfamoyl)ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide (CID 111979734) is N-[2-(diethylsulfamoyl)ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[2-(diethylsulfamoyl)ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[2-(diethylsulfamoyl)ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide is CCN(CC)S(=O)(=O)CCN/C(=N\C)N1CCCC(C)C1.I.
What is the InChIKey of N-[2-(diethylsulfamoyl)ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is BRPIHMKFRGISQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O2S.HI/c1-5-18(6-2)21(19,20)11-9-16-14(15-4)17-10-7-8-13(3)12-17;/h13H,5-12H2,1-4H3,(H,15,16);1H.
What are the key properties of N-[2-(diethylsulfamoyl)ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide?
N-[2-(diethylsulfamoyl)ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 446.40 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylsulfamoyl)ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111979734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).