propan-2-yloxysulfonylmethanesulfonic acid

C4H10O6S2 — CID 151617954

IUPACpropan-2-yloxysulfonylmethanesulfonic acid
SMILESCC(C)OS(=O)(=O)CS(=O)(=O)O
InChIInChI=1S/C4H10O6S2/c1-4(2)10-12(8,9)3-11(5,6)7/h4H,3H2,1-2H3,(H,5,6,7)
InChIKeyQNXKVBGRGDTXHK-UHFFFAOYSA-N
MW218.25 g/mol
LogP-0.41
Rot. Bonds4

About propan-2-yloxysulfonylmethanesulfonic acid

propan-2-yloxysulfonylmethanesulfonic acid (PubChem CID 151617954) has the molecular formula C4H10O6S2 and a molecular weight of 218.25 g/mol. Its IUPAC name is propan-2-yloxysulfonylmethanesulfonic acid.

Molecular Properties

Compound Namepropan-2-yloxysulfonylmethanesulfonic acid
PubChem CID151617954
Molecular FormulaC4H10O6S2
Molecular Weight218.25 g/mol
Exact Mass217.99
IUPAC Namepropan-2-yloxysulfonylmethanesulfonic acid
SMILESCC(C)OS(=O)(=O)CS(=O)(=O)O
InChIInChI=1S/C4H10O6S2/c1-4(2)10-12(8,9)3-11(5,6)7/h4H,3H2,1-2H3,(H,5,6,7)
InChIKeyQNXKVBGRGDTXHK-UHFFFAOYSA-N
XLogP-0.41
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-0.41
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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Related Compounds

4-methylpentan-2-yloxysulfonylmethanesulfonic acid
CID 174682911
dipropan-2-yl butane-1,4-disulfonate
CID 168868085
octan-4-yloxysulfonylmethanesulfonic acid
CID 90417516
propan-2-yl hydrogen sulfate;zirconium
CID 175368295
phosphanyloxysulfonylmethanesulfonic acid
CID 122479772
guanidine;propan-2-yl hydrogen sulfate
CID 175078270
dipropan-2-yl sulfate
CID 18096
bis(4-methylpentan-2-yl) methanedisulfonate
CID 89483101
copper;methanedisulfonic acid
CID 88584534
barium(2+);methanedisulfonic acid
CID 54611525
CID 131856458
CID 131856458
propan-2-yl hydrogen sulfate;triethyl(methyl)azanium
CID 174759318

Frequently Asked Questions

What is the IUPAC name of propan-2-yloxysulfonylmethanesulfonic acid?
The IUPAC name of propan-2-yloxysulfonylmethanesulfonic acid (CID 151617954) is propan-2-yloxysulfonylmethanesulfonic acid.
What is the SMILES notation for propan-2-yloxysulfonylmethanesulfonic acid?
The canonical SMILES for propan-2-yloxysulfonylmethanesulfonic acid is CC(C)OS(=O)(=O)CS(=O)(=O)O.
What is the InChIKey of propan-2-yloxysulfonylmethanesulfonic acid?
The InChIKey is QNXKVBGRGDTXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O6S2/c1-4(2)10-12(8,9)3-11(5,6)7/h4H,3H2,1-2H3,(H,5,6,7).
What are the key properties of propan-2-yloxysulfonylmethanesulfonic acid?
propan-2-yloxysulfonylmethanesulfonic acid has a molecular weight of 218.25 g/mol, XLogP of -0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yloxysulfonylmethanesulfonic acid is sourced from PubChem (CID 151617954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).