prop-2-enylsulfonyl prop-2-ene-1-sulfonate

C6H10O5S2 — CID 18671222

IUPACprop-2-enylsulfonyl prop-2-ene-1-sulfonate
SMILESC=CCS(=O)(=O)OS(=O)(=O)CC=C
InChIInChI=1S/C6H10O5S2/c1-3-5-12(7,8)11-13(9,10)6-4-2/h3-4H,1-2,5-6H2
InChIKeyNCQMDQYCIZPAAW-UHFFFAOYSA-N
MW226.27 g/mol
LogP0.03
Rot. Bonds6

About prop-2-enylsulfonyl prop-2-ene-1-sulfonate

prop-2-enylsulfonyl prop-2-ene-1-sulfonate (PubChem CID 18671222) has the molecular formula C6H10O5S2 and a molecular weight of 226.27 g/mol. Its IUPAC name is prop-2-enylsulfonyl prop-2-ene-1-sulfonate.

Molecular Properties

Compound Nameprop-2-enylsulfonyl prop-2-ene-1-sulfonate
PubChem CID18671222
Molecular FormulaC6H10O5S2
Molecular Weight226.27 g/mol
Exact Mass226.00
IUPAC Nameprop-2-enylsulfonyl prop-2-ene-1-sulfonate
SMILESC=CCS(=O)(=O)OS(=O)(=O)CC=C
InChIInChI=1S/C6H10O5S2/c1-3-5-12(7,8)11-13(9,10)6-4-2/h3-4H,1-2,5-6H2
InChIKeyNCQMDQYCIZPAAW-UHFFFAOYSA-N
XLogP0.03
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze prop-2-enylsulfonyl prop-2-ene-1-sulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of prop-2-enylsulfonyl prop-2-ene-1-sulfonate?
The IUPAC name of prop-2-enylsulfonyl prop-2-ene-1-sulfonate (CID 18671222) is prop-2-enylsulfonyl prop-2-ene-1-sulfonate.
What is the SMILES notation for prop-2-enylsulfonyl prop-2-ene-1-sulfonate?
The canonical SMILES for prop-2-enylsulfonyl prop-2-ene-1-sulfonate is C=CCS(=O)(=O)OS(=O)(=O)CC=C.
What is the InChIKey of prop-2-enylsulfonyl prop-2-ene-1-sulfonate?
The InChIKey is NCQMDQYCIZPAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O5S2/c1-3-5-12(7,8)11-13(9,10)6-4-2/h3-4H,1-2,5-6H2.
What are the key properties of prop-2-enylsulfonyl prop-2-ene-1-sulfonate?
prop-2-enylsulfonyl prop-2-ene-1-sulfonate has a molecular weight of 226.27 g/mol, XLogP of 0.03, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enylsulfonyl prop-2-ene-1-sulfonate is sourced from PubChem (CID 18671222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).