propan-2-ylsulfonyl propane-2-sulfonate

C6H14O5S2 — CID 13107254

IUPACpropan-2-ylsulfonyl propane-2-sulfonate
SMILESCC(C)S(=O)(=O)OS(=O)(=O)C(C)C
InChIInChI=1S/C6H14O5S2/c1-5(2)12(7,8)11-13(9,10)6(3)4/h5-6H,1-4H3
InChIKeyOUAJDQWUJSRQDL-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.48
Rot. Bonds4

About propan-2-ylsulfonyl propane-2-sulfonate

propan-2-ylsulfonyl propane-2-sulfonate (PubChem CID 13107254) has the molecular formula C6H14O5S2 and a molecular weight of 230.31 g/mol. Its IUPAC name is propan-2-ylsulfonyl propane-2-sulfonate.

Molecular Properties

Compound Namepropan-2-ylsulfonyl propane-2-sulfonate
PubChem CID13107254
Molecular FormulaC6H14O5S2
Molecular Weight230.31 g/mol
Exact Mass230.03
IUPAC Namepropan-2-ylsulfonyl propane-2-sulfonate
SMILESCC(C)S(=O)(=O)OS(=O)(=O)C(C)C
InChIInChI=1S/C6H14O5S2/c1-5(2)12(7,8)11-13(9,10)6(3)4/h5-6H,1-4H3
InChIKeyOUAJDQWUJSRQDL-UHFFFAOYSA-N
XLogP0.48
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-ylsulfonyl propane-2-sulfonate?
The IUPAC name of propan-2-ylsulfonyl propane-2-sulfonate (CID 13107254) is propan-2-ylsulfonyl propane-2-sulfonate.
What is the SMILES notation for propan-2-ylsulfonyl propane-2-sulfonate?
The canonical SMILES for propan-2-ylsulfonyl propane-2-sulfonate is CC(C)S(=O)(=O)OS(=O)(=O)C(C)C.
What is the InChIKey of propan-2-ylsulfonyl propane-2-sulfonate?
The InChIKey is OUAJDQWUJSRQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O5S2/c1-5(2)12(7,8)11-13(9,10)6(3)4/h5-6H,1-4H3.
What are the key properties of propan-2-ylsulfonyl propane-2-sulfonate?
propan-2-ylsulfonyl propane-2-sulfonate has a molecular weight of 230.31 g/mol, XLogP of 0.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-ylsulfonyl propane-2-sulfonate is sourced from PubChem (CID 13107254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).