2,2-bis(ethylsulfonyl)butane

C8H18O4S2 — CID 6433

💊View drug profile → methylsulfonal
IUPAC2,2-bis(ethylsulfonyl)butane
SMILESCCC(C)(S(=O)(=O)CC)S(=O)(=O)CC
InChIInChI=1S/C8H18O4S2/c1-5-8(4,13(9,10)6-2)14(11,12)7-3/h5-7H2,1-4H3
InChIKeyLKACJLUUJRMGFK-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.98
Rot. Bonds5

About 2,2-bis(ethylsulfonyl)butane

2,2-bis(ethylsulfonyl)butane (PubChem CID 6433) has the molecular formula C8H18O4S2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2,2-bis(ethylsulfonyl)butane.

Molecular Properties

Compound Name2,2-bis(ethylsulfonyl)butane
PubChem CID6433
Molecular FormulaC8H18O4S2
Molecular Weight242.36 g/mol
Exact Mass242.06
IUPAC Name2,2-bis(ethylsulfonyl)butane
SMILESCCC(C)(S(=O)(=O)CC)S(=O)(=O)CC
InChIInChI=1S/C8H18O4S2/c1-5-8(4,13(9,10)6-2)14(11,12)7-3/h5-7H2,1-4H3
InChIKeyLKACJLUUJRMGFK-UHFFFAOYSA-N
XLogP0.98
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Sulfonmethane
CID 8262
Dibutyl sulfone
CID 69014
3,3-Bis(ethylsulfonyl)pentane
CID 75197
Pentyl sulfone
CID 77934
1,1-Bis(ethylsulfonyl)ethane
CID 313504
Sulfone, bis(2-(ethylthio)ethyl)
CID 205254
Propyl 1-(propylsulfinyl)propyl disulfide
CID 85752107
3-(Butane-1-sulfonyl)-tetrahydro-thiophene 1,1-dioxide
CID 2829782
1,2-Bis(butylsulfonyl)ethane
CID 546356
Tris(ethylsulphonyl)methane
CID 88921
Sulfone, bis(2-(butylthio)ethyl)
CID 205255
1,1,3,3-Tetrakis(methylsulfonyl)propane
CID 313526

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(ethylsulfonyl)butane?
The IUPAC name of 2,2-bis(ethylsulfonyl)butane (CID 6433) is 2,2-bis(ethylsulfonyl)butane.
What is the SMILES notation for 2,2-bis(ethylsulfonyl)butane?
The canonical SMILES for 2,2-bis(ethylsulfonyl)butane is CCC(C)(S(=O)(=O)CC)S(=O)(=O)CC.
What is the InChIKey of 2,2-bis(ethylsulfonyl)butane?
The InChIKey is LKACJLUUJRMGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O4S2/c1-5-8(4,13(9,10)6-2)14(11,12)7-3/h5-7H2,1-4H3.
What are the key properties of 2,2-bis(ethylsulfonyl)butane?
2,2-bis(ethylsulfonyl)butane has a molecular weight of 242.36 g/mol, XLogP of 0.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(ethylsulfonyl)butane is sourced from PubChem (CID 6433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).