6-ethenylsulfonylhexanoyl iodide

C8H13IO3S — CID 121401578

IUPAC6-ethenylsulfonylhexanoyl iodide
SMILESC=CS(=O)(=O)CCCCCC(=O)I
InChIInChI=1S/C8H13IO3S/c1-2-13(11,12)7-5-3-4-6-8(9)10/h2H,1,3-7H2
InChIKeyXMUHDZDAKOABRE-UHFFFAOYSA-N
MW316.16 g/mol
LogP2.07
Rot. Bonds7

About 6-ethenylsulfonylhexanoyl iodide

6-ethenylsulfonylhexanoyl iodide (PubChem CID 121401578) has the molecular formula C8H13IO3S and a molecular weight of 316.16 g/mol. Its IUPAC name is 6-ethenylsulfonylhexanoyl iodide.

Molecular Properties

Compound Name6-ethenylsulfonylhexanoyl iodide
PubChem CID121401578
Molecular FormulaC8H13IO3S
Molecular Weight316.16 g/mol
Exact Mass315.96
IUPAC Name6-ethenylsulfonylhexanoyl iodide
SMILESC=CS(=O)(=O)CCCCCC(=O)I
InChIInChI=1S/C8H13IO3S/c1-2-13(11,12)7-5-3-4-6-8(9)10/h2H,1,3-7H2
InChIKeyXMUHDZDAKOABRE-UHFFFAOYSA-N
XLogP2.07
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,5-bis(ethenylsulfonyl)pentan-3-one
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18-oxooctadecanoyl iodide
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1-ethenylsulfonyl-3-methoxypropane
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4-(methylsulfamoyl)butanoyl iodide
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2-(2-ethenylsulfonylethylamino)ethanol
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(E)-N-[2-(2-ethenylsulfonylethylsulfanyl)ethyl]octadec-9-enamide
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bis(2-ethenylsulfonylethyl)azanium chloride
CID 173330031
4-chlorobutanoyl iodide
CID 12715974
N-[1-[[(3R)-6-(carbamoylamino)-2-oxo-1-sulfanylhexan-3-yl]amino]-3-methyl-1-oxobutan-2-yl]-6-ethenylsulfonylhexanamide
CID 135188439
(1R)-1,3-bis(ethenylsulfonyl)propan-1-ol
CID 124583387
2-(2-ethenylsulfonylethoxy)ethanol
CID 118674332

Frequently Asked Questions

What is the IUPAC name of 6-ethenylsulfonylhexanoyl iodide?
The IUPAC name of 6-ethenylsulfonylhexanoyl iodide (CID 121401578) is 6-ethenylsulfonylhexanoyl iodide.
What is the SMILES notation for 6-ethenylsulfonylhexanoyl iodide?
The canonical SMILES for 6-ethenylsulfonylhexanoyl iodide is C=CS(=O)(=O)CCCCCC(=O)I.
What is the InChIKey of 6-ethenylsulfonylhexanoyl iodide?
The InChIKey is XMUHDZDAKOABRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13IO3S/c1-2-13(11,12)7-5-3-4-6-8(9)10/h2H,1,3-7H2.
What are the key properties of 6-ethenylsulfonylhexanoyl iodide?
6-ethenylsulfonylhexanoyl iodide has a molecular weight of 316.16 g/mol, XLogP of 2.07, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenylsulfonylhexanoyl iodide is sourced from PubChem (CID 121401578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).