cyclohexylsulfonyloxymethanesulfonic acid

C7H14O6S2 — CID 54060038

IUPACcyclohexylsulfonyloxymethanesulfonic acid
SMILESO=S(=O)(O)COS(=O)(=O)C1CCCCC1
InChIInChI=1S/C7H14O6S2/c8-14(9,10)6-13-15(11,12)7-4-2-1-3-5-7/h7H,1-6H2,(H,8,9,10)
InChIKeyLZAPLHDTVRCKDZ-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.51
Rot. Bonds4

About cyclohexylsulfonyloxymethanesulfonic acid

cyclohexylsulfonyloxymethanesulfonic acid (PubChem CID 54060038) has the molecular formula C7H14O6S2 and a molecular weight of 258.32 g/mol. Its IUPAC name is cyclohexylsulfonyloxymethanesulfonic acid.

Molecular Properties

Compound Namecyclohexylsulfonyloxymethanesulfonic acid
PubChem CID54060038
Molecular FormulaC7H14O6S2
Molecular Weight258.32 g/mol
Exact Mass258.02
IUPAC Namecyclohexylsulfonyloxymethanesulfonic acid
SMILESO=S(=O)(O)COS(=O)(=O)C1CCCCC1
InChIInChI=1S/C7H14O6S2/c8-14(9,10)6-13-15(11,12)7-4-2-1-3-5-7/h7H,1-6H2,(H,8,9,10)
InChIKeyLZAPLHDTVRCKDZ-UHFFFAOYSA-N
XLogP0.51
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexylsulfonyloxymethanesulfonic acid?
The IUPAC name of cyclohexylsulfonyloxymethanesulfonic acid (CID 54060038) is cyclohexylsulfonyloxymethanesulfonic acid.
What is the SMILES notation for cyclohexylsulfonyloxymethanesulfonic acid?
The canonical SMILES for cyclohexylsulfonyloxymethanesulfonic acid is O=S(=O)(O)COS(=O)(=O)C1CCCCC1.
What is the InChIKey of cyclohexylsulfonyloxymethanesulfonic acid?
The InChIKey is LZAPLHDTVRCKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O6S2/c8-14(9,10)6-13-15(11,12)7-4-2-1-3-5-7/h7H,1-6H2,(H,8,9,10).
What are the key properties of cyclohexylsulfonyloxymethanesulfonic acid?
cyclohexylsulfonyloxymethanesulfonic acid has a molecular weight of 258.32 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylsulfonyloxymethanesulfonic acid is sourced from PubChem (CID 54060038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).