2,2-bis(ethylsulfonyl)propane

C7H16O4S2 — CID 8262

IUPAC2,2-bis(ethylsulfonyl)propane
SMILESCCS(=O)(=O)C(C)(C)S(=O)(=O)CC
InChIInChI=1S/C7H16O4S2/c1-5-12(8,9)7(3,4)13(10,11)6-2/h5-6H2,1-4H3
InChIKeyCESKLHVYGRFMFP-UHFFFAOYSA-N
MW228.33 g/mol
LogP0.59
Rot. Bonds4

About 2,2-bis(ethylsulfonyl)propane

2,2-bis(ethylsulfonyl)propane (PubChem CID 8262) has the molecular formula C7H16O4S2 and a molecular weight of 228.33 g/mol. Its IUPAC name is 2,2-bis(ethylsulfonyl)propane.

Molecular Properties

Compound Name2,2-bis(ethylsulfonyl)propane
PubChem CID8262
Molecular FormulaC7H16O4S2
Molecular Weight228.33 g/mol
Exact Mass228.05
IUPAC Name2,2-bis(ethylsulfonyl)propane
SMILESCCS(=O)(=O)C(C)(C)S(=O)(=O)CC
InChIInChI=1S/C7H16O4S2/c1-5-12(8,9)7(3,4)13(10,11)6-2/h5-6H2,1-4H3
InChIKeyCESKLHVYGRFMFP-UHFFFAOYSA-N
XLogP0.59
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(ethylsulfonyl)propane?
The IUPAC name of 2,2-bis(ethylsulfonyl)propane (CID 8262) is 2,2-bis(ethylsulfonyl)propane.
What is the SMILES notation for 2,2-bis(ethylsulfonyl)propane?
The canonical SMILES for 2,2-bis(ethylsulfonyl)propane is CCS(=O)(=O)C(C)(C)S(=O)(=O)CC.
What is the InChIKey of 2,2-bis(ethylsulfonyl)propane?
The InChIKey is CESKLHVYGRFMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O4S2/c1-5-12(8,9)7(3,4)13(10,11)6-2/h5-6H2,1-4H3.
What are the key properties of 2,2-bis(ethylsulfonyl)propane?
2,2-bis(ethylsulfonyl)propane has a molecular weight of 228.33 g/mol, XLogP of 0.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(ethylsulfonyl)propane is sourced from PubChem (CID 8262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).