1-ethenylsulfonyl-2-(ethenylsulfonylmethoxy)ethane

C7H12O5S2 — CID 59931872

IUPAC1-ethenylsulfonyl-2-(ethenylsulfonylmethoxy)ethane
SMILESC=CS(=O)(=O)CCOCS(=O)(=O)C=C
InChIInChI=1S/C7H12O5S2/c1-3-13(8,9)6-5-12-7-14(10,11)4-2/h3-4H,1-2,5-7H2
InChIKeyPJLLGOCBWARKSC-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.08
Rot. Bonds7

About 1-ethenylsulfonyl-2-(ethenylsulfonylmethoxy)ethane

1-ethenylsulfonyl-2-(ethenylsulfonylmethoxy)ethane (PubChem CID 59931872) has the molecular formula C7H12O5S2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-ethenylsulfonyl-2-(ethenylsulfonylmethoxy)ethane.

Molecular Properties

Compound Name1-ethenylsulfonyl-2-(ethenylsulfonylmethoxy)ethane
PubChem CID59931872
Molecular FormulaC7H12O5S2
Molecular Weight240.30 g/mol
Exact Mass240.01
IUPAC Name1-ethenylsulfonyl-2-(ethenylsulfonylmethoxy)ethane
SMILESC=CS(=O)(=O)CCOCS(=O)(=O)C=C
InChIInChI=1S/C7H12O5S2/c1-3-13(8,9)6-5-12-7-14(10,11)4-2/h3-4H,1-2,5-7H2
InChIKeyPJLLGOCBWARKSC-UHFFFAOYSA-N
XLogP0.08
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-ethenylsulfonyl-2-(ethenylsulfonylmethoxy)ethane 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 1-ethenylsulfonyl-2-(ethenylsulfonylmethoxy)ethane?
The IUPAC name of 1-ethenylsulfonyl-2-(ethenylsulfonylmethoxy)ethane (CID 59931872) is 1-ethenylsulfonyl-2-(ethenylsulfonylmethoxy)ethane.
What is the SMILES notation for 1-ethenylsulfonyl-2-(ethenylsulfonylmethoxy)ethane?
The canonical SMILES for 1-ethenylsulfonyl-2-(ethenylsulfonylmethoxy)ethane is C=CS(=O)(=O)CCOCS(=O)(=O)C=C.
What is the InChIKey of 1-ethenylsulfonyl-2-(ethenylsulfonylmethoxy)ethane?
The InChIKey is PJLLGOCBWARKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O5S2/c1-3-13(8,9)6-5-12-7-14(10,11)4-2/h3-4H,1-2,5-7H2.
What are the key properties of 1-ethenylsulfonyl-2-(ethenylsulfonylmethoxy)ethane?
1-ethenylsulfonyl-2-(ethenylsulfonylmethoxy)ethane has a molecular weight of 240.30 g/mol, XLogP of 0.08, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylsulfonyl-2-(ethenylsulfonylmethoxy)ethane is sourced from PubChem (CID 59931872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).