2-methyl-2-methylsulfonylbutane

C6H14O2S — CID 20813325

IUPAC2-methyl-2-methylsulfonylbutane
SMILESCCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C6H14O2S/c1-5-6(2,3)9(4,7)8/h5H2,1-4H3
InChIKeyXFYGVPJAYHSFNC-UHFFFAOYSA-N
MW150.24 g/mol
LogP1.22
Rot. Bonds2

About 2-methyl-2-methylsulfonylbutane

2-methyl-2-methylsulfonylbutane (PubChem CID 20813325) has the molecular formula C6H14O2S and a molecular weight of 150.24 g/mol. Its IUPAC name is 2-methyl-2-methylsulfonylbutane.

Molecular Properties

Compound Name2-methyl-2-methylsulfonylbutane
PubChem CID20813325
Molecular FormulaC6H14O2S
Molecular Weight150.24 g/mol
Exact Mass150.07
IUPAC Name2-methyl-2-methylsulfonylbutane
SMILESCCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C6H14O2S/c1-5-6(2,3)9(4,7)8/h5H2,1-4H3
InChIKeyXFYGVPJAYHSFNC-UHFFFAOYSA-N
XLogP1.22
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.24
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-methylsulfonylbutane?
The IUPAC name of 2-methyl-2-methylsulfonylbutane (CID 20813325) is 2-methyl-2-methylsulfonylbutane.
What is the SMILES notation for 2-methyl-2-methylsulfonylbutane?
The canonical SMILES for 2-methyl-2-methylsulfonylbutane is CCC(C)(C)S(C)(=O)=O.
What is the InChIKey of 2-methyl-2-methylsulfonylbutane?
The InChIKey is XFYGVPJAYHSFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2S/c1-5-6(2,3)9(4,7)8/h5H2,1-4H3.
What are the key properties of 2-methyl-2-methylsulfonylbutane?
2-methyl-2-methylsulfonylbutane has a molecular weight of 150.24 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-methylsulfonylbutane is sourced from PubChem (CID 20813325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).