2-ethenylsulfonyl-2-methylpropane

C6H12O2S — CID 5323639

IUPAC2-ethenylsulfonyl-2-methylpropane
SMILESC=CS(=O)(=O)C(C)(C)C
InChIInChI=1S/C6H12O2S/c1-5-9(7,8)6(2,3)4/h5H,1H2,2-4H3
InChIKeyWWSRTAZVNIIQSD-UHFFFAOYSA-N
MW148.23 g/mol
LogP1.34
Rot. Bonds1

About 2-ethenylsulfonyl-2-methylpropane

2-ethenylsulfonyl-2-methylpropane (PubChem CID 5323639) has the molecular formula C6H12O2S and a molecular weight of 148.23 g/mol. Its IUPAC name is 2-ethenylsulfonyl-2-methylpropane.

Molecular Properties

Compound Name2-ethenylsulfonyl-2-methylpropane
PubChem CID5323639
Molecular FormulaC6H12O2S
Molecular Weight148.23 g/mol
Exact Mass148.06
IUPAC Name2-ethenylsulfonyl-2-methylpropane
SMILESC=CS(=O)(=O)C(C)(C)C
InChIInChI=1S/C6H12O2S/c1-5-9(7,8)6(2,3)4/h5H,1H2,2-4H3
InChIKeyWWSRTAZVNIIQSD-UHFFFAOYSA-N
XLogP1.34
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethenylsulfonyl-2-methylpropane?
The IUPAC name of 2-ethenylsulfonyl-2-methylpropane (CID 5323639) is 2-ethenylsulfonyl-2-methylpropane.
What is the SMILES notation for 2-ethenylsulfonyl-2-methylpropane?
The canonical SMILES for 2-ethenylsulfonyl-2-methylpropane is C=CS(=O)(=O)C(C)(C)C.
What is the InChIKey of 2-ethenylsulfonyl-2-methylpropane?
The InChIKey is WWSRTAZVNIIQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2S/c1-5-9(7,8)6(2,3)4/h5H,1H2,2-4H3.
What are the key properties of 2-ethenylsulfonyl-2-methylpropane?
2-ethenylsulfonyl-2-methylpropane has a molecular weight of 148.23 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylsulfonyl-2-methylpropane is sourced from PubChem (CID 5323639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).