N-ethylsulfamoyl iodide

C2H6INO2S — CID 129238582

IUPACN-ethylsulfamoyl iodide
SMILESCCNS(=O)(=O)I
InChIInChI=1S/C2H6INO2S/c1-2-4-7(3,5)6/h4H,2H2,1H3
InChIKeyXCOCDHGRYPMZEN-UHFFFAOYSA-N
MW235.05 g/mol
LogP0.28
Rot. Bonds2

About N-ethylsulfamoyl iodide

N-ethylsulfamoyl iodide (PubChem CID 129238582) has the molecular formula C2H6INO2S and a molecular weight of 235.05 g/mol. Its IUPAC name is N-ethylsulfamoyl iodide.

Molecular Properties

Compound NameN-ethylsulfamoyl iodide
PubChem CID129238582
Molecular FormulaC2H6INO2S
Molecular Weight235.05 g/mol
Exact Mass234.92
IUPAC NameN-ethylsulfamoyl iodide
SMILESCCNS(=O)(=O)I
InChIInChI=1S/C2H6INO2S/c1-2-4-7(3,5)6/h4H,2H2,1H3
InChIKeyXCOCDHGRYPMZEN-UHFFFAOYSA-N
XLogP0.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.05
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethylsulfamoyl iodide?
The IUPAC name of N-ethylsulfamoyl iodide (CID 129238582) is N-ethylsulfamoyl iodide.
What is the SMILES notation for N-ethylsulfamoyl iodide?
The canonical SMILES for N-ethylsulfamoyl iodide is CCNS(=O)(=O)I.
What is the InChIKey of N-ethylsulfamoyl iodide?
The InChIKey is XCOCDHGRYPMZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6INO2S/c1-2-4-7(3,5)6/h4H,2H2,1H3.
What are the key properties of N-ethylsulfamoyl iodide?
N-ethylsulfamoyl iodide has a molecular weight of 235.05 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylsulfamoyl iodide is sourced from PubChem (CID 129238582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).