propylsulfonyl propane-1-sulfonate

C6H14O5S2 — CID 11031687

IUPACpropylsulfonyl propane-1-sulfonate
SMILESCCCS(=O)(=O)OS(=O)(=O)CCC
InChIInChI=1S/C6H14O5S2/c1-3-5-12(7,8)11-13(9,10)6-4-2/h3-6H2,1-2H3
InChIKeyOTRCLINFKXQIBG-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.48
Rot. Bonds6

About propylsulfonyl propane-1-sulfonate

propylsulfonyl propane-1-sulfonate (PubChem CID 11031687) has the molecular formula C6H14O5S2 and a molecular weight of 230.31 g/mol. Its IUPAC name is propylsulfonyl propane-1-sulfonate.

Molecular Properties

Compound Namepropylsulfonyl propane-1-sulfonate
PubChem CID11031687
Molecular FormulaC6H14O5S2
Molecular Weight230.31 g/mol
Exact Mass230.03
IUPAC Namepropylsulfonyl propane-1-sulfonate
SMILESCCCS(=O)(=O)OS(=O)(=O)CCC
InChIInChI=1S/C6H14O5S2/c1-3-5-12(7,8)11-13(9,10)6-4-2/h3-6H2,1-2H3
InChIKeyOTRCLINFKXQIBG-UHFFFAOYSA-N
XLogP0.48
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
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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Related Compounds

acetic acid;propylsulfonyl propane-1-sulfonate
CID 146345923
CID 175973653
CID 175973653
propylsulfonyl formate
CID 87151772
propylsulfonyl benzenesulfonate
CID 174788373
propylsulfonyl 3-morpholin-4-ylpropane-1-sulfonate
CID 175290511
2-[2-[2-(2-propylsulfonyloxyethoxy)ethoxy]ethoxy]ethyl propane-1-sulfonate
CID 150811403
2-(2-hydroxypropylimino)ethylsulfonyl propane-1-sulfonate
CID 56974207
sodium;hydride;trimethylsilyl propane-1-sulfonate
CID 173422421
hydroxy-oxo-propylsulfonyloxyphosphanium
CID 174575206
1-propylsulfonylpropane
CID 11709
tri(propan-2-yl)silyl propane-1-sulfonate
CID 21103012
octyl propane-1-sulfonate
CID 19702367

Frequently Asked Questions

What is the IUPAC name of propylsulfonyl propane-1-sulfonate?
The IUPAC name of propylsulfonyl propane-1-sulfonate (CID 11031687) is propylsulfonyl propane-1-sulfonate.
What is the SMILES notation for propylsulfonyl propane-1-sulfonate?
The canonical SMILES for propylsulfonyl propane-1-sulfonate is CCCS(=O)(=O)OS(=O)(=O)CCC.
What is the InChIKey of propylsulfonyl propane-1-sulfonate?
The InChIKey is OTRCLINFKXQIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O5S2/c1-3-5-12(7,8)11-13(9,10)6-4-2/h3-6H2,1-2H3.
What are the key properties of propylsulfonyl propane-1-sulfonate?
propylsulfonyl propane-1-sulfonate has a molecular weight of 230.31 g/mol, XLogP of 0.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propylsulfonyl propane-1-sulfonate is sourced from PubChem (CID 11031687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).