1-cyano-N-(2-iodoethyl)ethanesulfonamide

C5H9IN2O2S — CID 106442112

IUPAC1-cyano-N-(2-iodoethyl)ethanesulfonamide
SMILESCC(C#N)S(=O)(=O)NCCI
InChIInChI=1S/C5H9IN2O2S/c1-5(4-7)11(9,10)8-3-2-6/h5,8H,2-3H2,1H3
InChIKeyUGXMRGMXCNUWDZ-UHFFFAOYSA-N
MW288.11 g/mol
LogP0.25
Rot. Bonds4

About 1-cyano-N-(2-iodoethyl)ethanesulfonamide

1-cyano-N-(2-iodoethyl)ethanesulfonamide (PubChem CID 106442112) has the molecular formula C5H9IN2O2S and a molecular weight of 288.11 g/mol. Its IUPAC name is 1-cyano-N-(2-iodoethyl)ethanesulfonamide.

Molecular Properties

Compound Name1-cyano-N-(2-iodoethyl)ethanesulfonamide
PubChem CID106442112
Molecular FormulaC5H9IN2O2S
Molecular Weight288.11 g/mol
Exact Mass287.94
IUPAC Name1-cyano-N-(2-iodoethyl)ethanesulfonamide
SMILESCC(C#N)S(=O)(=O)NCCI
InChIInChI=1S/C5H9IN2O2S/c1-5(4-7)11(9,10)8-3-2-6/h5,8H,2-3H2,1H3
InChIKeyUGXMRGMXCNUWDZ-UHFFFAOYSA-N
XLogP0.25
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.11
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-cyano-N-[2-(4-fluorophenyl)ethyl]ethanesulfonamide
CID 97054576
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-cyanoethanesulfonamide
CID 106035235
3-(1-cyanoethylsulfonylamino)-2,2-dimethylpropanamide
CID 106277324
1-cyano-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)ethanesulfonamide
CID 106245470
1-cyano-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)ethanesulfonamide
CID 114694199
2-[2-[(1-cyanoethylsulfonylamino)methyl]phenyl]acetic acid
CID 81318553
1-cyano-N-(2-hydroxy-4-methoxy-2-methylbutyl)ethanesulfonamide
CID 106252817
1-cyano-N-(1,2,4-oxadiazol-3-ylmethyl)ethanesulfonamide
CID 106399137
1-cyano-N-[(2R)-1-hydroxybutan-2-yl]ethanesulfonamide
CID 104868962
1-cyano-N-(3-methylsulfanylbutyl)propane-1-sulfonamide
CID 115766863
2-[2-[ethyl(propyl)amino]ethylsulfamoyl]propanethioamide
CID 114132789
1-cyanoethanesulfonyl chloride
CID 15259931

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2-iodoethyl)ethanesulfonamide?
The IUPAC name of 1-cyano-N-(2-iodoethyl)ethanesulfonamide (CID 106442112) is 1-cyano-N-(2-iodoethyl)ethanesulfonamide.
What is the SMILES notation for 1-cyano-N-(2-iodoethyl)ethanesulfonamide?
The canonical SMILES for 1-cyano-N-(2-iodoethyl)ethanesulfonamide is CC(C#N)S(=O)(=O)NCCI.
What is the InChIKey of 1-cyano-N-(2-iodoethyl)ethanesulfonamide?
The InChIKey is UGXMRGMXCNUWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9IN2O2S/c1-5(4-7)11(9,10)8-3-2-6/h5,8H,2-3H2,1H3.
What are the key properties of 1-cyano-N-(2-iodoethyl)ethanesulfonamide?
1-cyano-N-(2-iodoethyl)ethanesulfonamide has a molecular weight of 288.11 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2-iodoethyl)ethanesulfonamide is sourced from PubChem (CID 106442112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).