[(2S)-2-(methylsulfonyloxymethyl)cyclohexyl]methyl methanesulfonate

C10H20O6S2 — CID 58665661

IUPAC[(2S)-2-(methylsulfonyloxymethyl)cyclohexyl]methyl methanesulfonate
SMILESCS(=O)(=O)OCC1CCCC[C@@H]1COS(C)(=O)=O
InChIInChI=1S/C10H20O6S2/c1-17(11,12)15-7-9-5-3-4-6-10(9)8-16-18(2,13)14/h9-10H,3-8H2,1-2H3/t9-,10?/m1/s1
InChIKeyJIHKCHWEXXZTOU-YHMJZVADSA-N
MW300.40 g/mol
LogP0.75
Rot. Bonds6

About [(2S)-2-(methylsulfonyloxymethyl)cyclohexyl]methyl methanesulfonate

[(2S)-2-(methylsulfonyloxymethyl)cyclohexyl]methyl methanesulfonate (PubChem CID 58665661) has the molecular formula C10H20O6S2 and a molecular weight of 300.40 g/mol. Its IUPAC name is [(2S)-2-(methylsulfonyloxymethyl)cyclohexyl]methyl methanesulfonate.

Molecular Properties

Compound Name[(2S)-2-(methylsulfonyloxymethyl)cyclohexyl]methyl methanesulfonate
PubChem CID58665661
Molecular FormulaC10H20O6S2
Molecular Weight300.40 g/mol
Exact Mass300.07
IUPAC Name[(2S)-2-(methylsulfonyloxymethyl)cyclohexyl]methyl methanesulfonate
SMILESCS(=O)(=O)OCC1CCCC[C@@H]1COS(C)(=O)=O
InChIInChI=1S/C10H20O6S2/c1-17(11,12)15-7-9-5-3-4-6-10(9)8-16-18(2,13)14/h9-10H,3-8H2,1-2H3/t9-,10?/m1/s1
InChIKeyJIHKCHWEXXZTOU-YHMJZVADSA-N
XLogP0.75
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(methylsulfonyloxymethyl)cyclohexyl]methyl methanesulfonate?
The IUPAC name of [(2S)-2-(methylsulfonyloxymethyl)cyclohexyl]methyl methanesulfonate (CID 58665661) is [(2S)-2-(methylsulfonyloxymethyl)cyclohexyl]methyl methanesulfonate.
What is the SMILES notation for [(2S)-2-(methylsulfonyloxymethyl)cyclohexyl]methyl methanesulfonate?
The canonical SMILES for [(2S)-2-(methylsulfonyloxymethyl)cyclohexyl]methyl methanesulfonate is CS(=O)(=O)OCC1CCCC[C@@H]1COS(C)(=O)=O.
What is the InChIKey of [(2S)-2-(methylsulfonyloxymethyl)cyclohexyl]methyl methanesulfonate?
The InChIKey is JIHKCHWEXXZTOU-YHMJZVADSA-N. The full InChI is InChI=1S/C10H20O6S2/c1-17(11,12)15-7-9-5-3-4-6-10(9)8-16-18(2,13)14/h9-10H,3-8H2,1-2H3/t9-,10?/m1/s1.
What are the key properties of [(2S)-2-(methylsulfonyloxymethyl)cyclohexyl]methyl methanesulfonate?
[(2S)-2-(methylsulfonyloxymethyl)cyclohexyl]methyl methanesulfonate has a molecular weight of 300.40 g/mol, XLogP of 0.75, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(methylsulfonyloxymethyl)cyclohexyl]methyl methanesulfonate is sourced from PubChem (CID 58665661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).