hexane-2-sulfonyl iodide

C6H13IO2S — CID 87941836

IUPAChexane-2-sulfonyl iodide
SMILESCCCCC(C)S(=O)(=O)I
InChIInChI=1S/C6H13IO2S/c1-3-4-5-6(2)10(7,8)9/h6H,3-5H2,1-2H3
InChIKeyIMGBLYGCULJDIS-UHFFFAOYSA-N
MW276.14 g/mol
LogP2.33
Rot. Bonds4

About hexane-2-sulfonyl iodide

hexane-2-sulfonyl iodide (PubChem CID 87941836) has the molecular formula C6H13IO2S and a molecular weight of 276.14 g/mol. Its IUPAC name is hexane-2-sulfonyl iodide.

Molecular Properties

Compound Namehexane-2-sulfonyl iodide
PubChem CID87941836
Molecular FormulaC6H13IO2S
Molecular Weight276.14 g/mol
Exact Mass275.97
IUPAC Namehexane-2-sulfonyl iodide
SMILESCCCCC(C)S(=O)(=O)I
InChIInChI=1S/C6H13IO2S/c1-3-4-5-6(2)10(7,8)9/h6H,3-5H2,1-2H3
InChIKeyIMGBLYGCULJDIS-UHFFFAOYSA-N
XLogP2.33
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.14
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methylsulfonyloctane
CID 121274607
pentadecane-2-sulfonic acid
CID 22415353
dodecane-2-sulfonic acid
CID 18963549
hexan-2-ylsulfonylmethylbenzene
CID 155261825
2-ethylhexane-1-sulfonyl iodide
CID 134896154
3-methyl-2-(3-methylheptan-2-ylsulfonyl)heptane
CID 141263749
hydroxy-oxo-sulfanylidene-tetradecan-2-yl-λ6-sulfane
CID 154274925
bis(2-methylhexanethioate);nickel(2+)
CID 21499168
bis(hexan-2-amine);oxalic acid
CID 175216358
3-methylheptane;oxotitanium
CID 174602327
hexan-2-yl iodo sulfate
CID 146320800
tributyl(methyl)phosphanium
CID 2760115

Frequently Asked Questions

What is the IUPAC name of hexane-2-sulfonyl iodide?
The IUPAC name of hexane-2-sulfonyl iodide (CID 87941836) is hexane-2-sulfonyl iodide.
What is the SMILES notation for hexane-2-sulfonyl iodide?
The canonical SMILES for hexane-2-sulfonyl iodide is CCCCC(C)S(=O)(=O)I.
What is the InChIKey of hexane-2-sulfonyl iodide?
The InChIKey is IMGBLYGCULJDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13IO2S/c1-3-4-5-6(2)10(7,8)9/h6H,3-5H2,1-2H3.
What are the key properties of hexane-2-sulfonyl iodide?
hexane-2-sulfonyl iodide has a molecular weight of 276.14 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexane-2-sulfonyl iodide is sourced from PubChem (CID 87941836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).