1-iodo-N-methylethanesulfonamide

C3H8INO2S — CID 137491728

IUPAC1-iodo-N-methylethanesulfonamide
SMILESCNS(=O)(=O)C(C)I
InChIInChI=1S/C3H8INO2S/c1-3(4)8(6,7)5-2/h3,5H,1-2H3
InChIKeyGOGJEAAYXAGBEA-UHFFFAOYSA-N
MW249.07 g/mol
LogP0.32
Rot. Bonds2

About 1-iodo-N-methylethanesulfonamide

1-iodo-N-methylethanesulfonamide (PubChem CID 137491728) has the molecular formula C3H8INO2S and a molecular weight of 249.07 g/mol. Its IUPAC name is 1-iodo-N-methylethanesulfonamide.

Molecular Properties

Compound Name1-iodo-N-methylethanesulfonamide
PubChem CID137491728
Molecular FormulaC3H8INO2S
Molecular Weight249.07 g/mol
Exact Mass248.93
IUPAC Name1-iodo-N-methylethanesulfonamide
SMILESCNS(=O)(=O)C(C)I
InChIInChI=1S/C3H8INO2S/c1-3(4)8(6,7)5-2/h3,5H,1-2H3
InChIKeyGOGJEAAYXAGBEA-UHFFFAOYSA-N
XLogP0.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.07
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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iodoform;N-methylmethanamine
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dimethyl-[1-(methylsulfamoyl)ethyl]-prop-2-enylazanium chloride
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N-methyl-1-thiophen-3-ylethanesulfonamide
CID 165445460
N-methylsulfamoyl bromide
CID 170980885
2-(methylsulfamoyl)-3-sulfanylpropanoic acid
CID 88840166
(1S)-N-methyl-1-pyridin-2-ylethanesulfonamide
CID 97167945
N-fluoropropane-2-sulfonamide
CID 143277140
(E)-N,3-dimethylbut-1-ene-1-sulfonamide
CID 164788405
3-ethylsulfonyl-N-methylbutan-2-amine
CID 64645580

Frequently Asked Questions

What is the IUPAC name of 1-iodo-N-methylethanesulfonamide?
The IUPAC name of 1-iodo-N-methylethanesulfonamide (CID 137491728) is 1-iodo-N-methylethanesulfonamide.
What is the SMILES notation for 1-iodo-N-methylethanesulfonamide?
The canonical SMILES for 1-iodo-N-methylethanesulfonamide is CNS(=O)(=O)C(C)I.
What is the InChIKey of 1-iodo-N-methylethanesulfonamide?
The InChIKey is GOGJEAAYXAGBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8INO2S/c1-3(4)8(6,7)5-2/h3,5H,1-2H3.
What are the key properties of 1-iodo-N-methylethanesulfonamide?
1-iodo-N-methylethanesulfonamide has a molecular weight of 249.07 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-N-methylethanesulfonamide is sourced from PubChem (CID 137491728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).