2-(2-iodoethylsulfonyl)-2-methylpropane

C6H13IO2S — CID 106732671

IUPAC2-(2-iodoethylsulfonyl)-2-methylpropane
SMILESCC(C)(C)S(=O)(=O)CCI
InChIInChI=1S/C6H13IO2S/c1-6(2,3)10(8,9)5-4-7/h4-5H2,1-3H3
InChIKeyVEPIDIXNTRQLQT-UHFFFAOYSA-N
MW276.14 g/mol
LogP1.63
Rot. Bonds2

About 2-(2-iodoethylsulfonyl)-2-methylpropane

2-(2-iodoethylsulfonyl)-2-methylpropane (PubChem CID 106732671) has the molecular formula C6H13IO2S and a molecular weight of 276.14 g/mol. Its IUPAC name is 2-(2-iodoethylsulfonyl)-2-methylpropane.

Molecular Properties

Compound Name2-(2-iodoethylsulfonyl)-2-methylpropane
PubChem CID106732671
Molecular FormulaC6H13IO2S
Molecular Weight276.14 g/mol
Exact Mass275.97
IUPAC Name2-(2-iodoethylsulfonyl)-2-methylpropane
SMILESCC(C)(C)S(=O)(=O)CCI
InChIInChI=1S/C6H13IO2S/c1-6(2,3)10(8,9)5-4-7/h4-5H2,1-3H3
InChIKeyVEPIDIXNTRQLQT-UHFFFAOYSA-N
XLogP1.63
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.14
LogP ≤ 51.63
H-Bond Donors ≤ 50
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

5-tert-butylsulfonylpentan-1-ol
CID 14965524
3-tert-butylsulfonylpropanethioic S-acid
CID 88748629
4-tert-butylsulfonyl-1-chloro-2-(chloromethyl)-2-methylbutane
CID 106734842
2-(2-tert-butylsulfonylethylsulfonyl)ethanamine
CID 106735655
2-(2-tert-butylsulfonylethyl)-1,1-dimethylhydrazine
CID 106724235
2-(2-tert-butylsulfonylethylsulfinyl)ethanamine
CID 106735658
2-[2-(2-chloroethylsulfanyl)ethylsulfonyl]-2-methylpropane
CID 106736034
2-tert-butylsulfonylethylcarbamic acid
CID 87536259
3-tert-butylsulfonylpropoxy(trimethyl)silane
CID 12020598
3-tert-butylsulfonyl-N-ethylpropan-1-amine
CID 64645773
4-tert-butylsulfonyl-2-ethylbutan-1-amine
CID 106729540
2-(2-tert-butylsulfonylethyl)-2-methylpentan-1-amine
CID 106729780

Frequently Asked Questions

What is the IUPAC name of 2-(2-iodoethylsulfonyl)-2-methylpropane?
The IUPAC name of 2-(2-iodoethylsulfonyl)-2-methylpropane (CID 106732671) is 2-(2-iodoethylsulfonyl)-2-methylpropane.
What is the SMILES notation for 2-(2-iodoethylsulfonyl)-2-methylpropane?
The canonical SMILES for 2-(2-iodoethylsulfonyl)-2-methylpropane is CC(C)(C)S(=O)(=O)CCI.
What is the InChIKey of 2-(2-iodoethylsulfonyl)-2-methylpropane?
The InChIKey is VEPIDIXNTRQLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13IO2S/c1-6(2,3)10(8,9)5-4-7/h4-5H2,1-3H3.
What are the key properties of 2-(2-iodoethylsulfonyl)-2-methylpropane?
2-(2-iodoethylsulfonyl)-2-methylpropane has a molecular weight of 276.14 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodoethylsulfonyl)-2-methylpropane is sourced from PubChem (CID 106732671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).