1-(diiodomethylsulfonyl)-2-methylpropane

C5H10I2O2S — CID 21439589

IUPAC1-(diiodomethylsulfonyl)-2-methylpropane
SMILESCC(C)CS(=O)(=O)C(I)I
InChIInChI=1S/C5H10I2O2S/c1-4(2)3-10(8,9)5(6)7/h4-5H,3H2,1-2H3
InChIKeyXRAMKKRQKMDPFW-UHFFFAOYSA-N
MW388.01 g/mol
LogP2.21
Rot. Bonds3

About 1-(diiodomethylsulfonyl)-2-methylpropane

1-(diiodomethylsulfonyl)-2-methylpropane (PubChem CID 21439589) has the molecular formula C5H10I2O2S and a molecular weight of 388.01 g/mol. Its IUPAC name is 1-(diiodomethylsulfonyl)-2-methylpropane.

Molecular Properties

Compound Name1-(diiodomethylsulfonyl)-2-methylpropane
PubChem CID21439589
Molecular FormulaC5H10I2O2S
Molecular Weight388.01 g/mol
Exact Mass387.85
IUPAC Name1-(diiodomethylsulfonyl)-2-methylpropane
SMILESCC(C)CS(=O)(=O)C(I)I
InChIInChI=1S/C5H10I2O2S/c1-4(2)3-10(8,9)5(6)7/h4-5H,3H2,1-2H3
InChIKeyXRAMKKRQKMDPFW-UHFFFAOYSA-N
XLogP2.21
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.01
LogP ≤ 52.21
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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Frequently Asked Questions

What is the IUPAC name of 1-(diiodomethylsulfonyl)-2-methylpropane?
The IUPAC name of 1-(diiodomethylsulfonyl)-2-methylpropane (CID 21439589) is 1-(diiodomethylsulfonyl)-2-methylpropane.
What is the SMILES notation for 1-(diiodomethylsulfonyl)-2-methylpropane?
The canonical SMILES for 1-(diiodomethylsulfonyl)-2-methylpropane is CC(C)CS(=O)(=O)C(I)I.
What is the InChIKey of 1-(diiodomethylsulfonyl)-2-methylpropane?
The InChIKey is XRAMKKRQKMDPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10I2O2S/c1-4(2)3-10(8,9)5(6)7/h4-5H,3H2,1-2H3.
What are the key properties of 1-(diiodomethylsulfonyl)-2-methylpropane?
1-(diiodomethylsulfonyl)-2-methylpropane has a molecular weight of 388.01 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diiodomethylsulfonyl)-2-methylpropane is sourced from PubChem (CID 21439589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).