cyclohexyl(hydroxy)methanesulfonic acid

C7H14O4S — CID 24965327

IUPACcyclohexyl(hydroxy)methanesulfonic acid
SMILESO=S(=O)(O)C(O)C1CCCCC1
InChIInChI=1S/C7H14O4S/c8-7(12(9,10)11)6-4-2-1-3-5-6/h6-8H,1-5H2,(H,9,10,11)
InChIKeyBSTKTZDZFWWUER-UHFFFAOYSA-N
MW194.25 g/mol
LogP0.77
Rot. Bonds2

About cyclohexyl(hydroxy)methanesulfonic acid

cyclohexyl(hydroxy)methanesulfonic acid (PubChem CID 24965327) has the molecular formula C7H14O4S and a molecular weight of 194.25 g/mol. Its IUPAC name is cyclohexyl(hydroxy)methanesulfonic acid.

Molecular Properties

Compound Namecyclohexyl(hydroxy)methanesulfonic acid
PubChem CID24965327
Molecular FormulaC7H14O4S
Molecular Weight194.25 g/mol
Exact Mass194.06
IUPAC Namecyclohexyl(hydroxy)methanesulfonic acid
SMILESO=S(=O)(O)C(O)C1CCCCC1
InChIInChI=1S/C7H14O4S/c8-7(12(9,10)11)6-4-2-1-3-5-6/h6-8H,1-5H2,(H,9,10,11)
InChIKeyBSTKTZDZFWWUER-UHFFFAOYSA-N
XLogP0.77
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

alpha-Hydroxy-cyclohexanemethanesulfonic acid sodium salt
CID 71748844
cyclohexylmethanedisulfonic acid
CID 151464619
sodium cycloheptyl(hydroxy)methanesulfonate
CID 103574480
2-cycloheptyl-2-hydroxyethanesulfonic acid
CID 115033560
1-cyclohexyl-2-cyclopentylethane-1,2-diol
CID 103459295
[(1S)-1-cyclohexylethyl] hydrogen sulfate
CID 101191225
1-cyano-2-cyclohexylethanesulfonic acid
CID 139523517
2-cycloheptyl-2-hydroxyethanesulfonyl fluoride
CID 115034579
1-(cycloheptylamino)ethanesulfonic acid
CID 147502327
cyclohexylcyclohexane;sulfuric acid
CID 67093853
cyclooctyl(cyclopropyl)methanol
CID 80603317
cyclohexanol;methanesulfonic acid
CID 87594838

Frequently Asked Questions

What is the IUPAC name of cyclohexyl(hydroxy)methanesulfonic acid?
The IUPAC name of cyclohexyl(hydroxy)methanesulfonic acid (CID 24965327) is cyclohexyl(hydroxy)methanesulfonic acid.
What is the SMILES notation for cyclohexyl(hydroxy)methanesulfonic acid?
The canonical SMILES for cyclohexyl(hydroxy)methanesulfonic acid is O=S(=O)(O)C(O)C1CCCCC1.
What is the InChIKey of cyclohexyl(hydroxy)methanesulfonic acid?
The InChIKey is BSTKTZDZFWWUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4S/c8-7(12(9,10)11)6-4-2-1-3-5-6/h6-8H,1-5H2,(H,9,10,11).
What are the key properties of cyclohexyl(hydroxy)methanesulfonic acid?
cyclohexyl(hydroxy)methanesulfonic acid has a molecular weight of 194.25 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(hydroxy)methanesulfonic acid is sourced from PubChem (CID 24965327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).