2-(ethenylsulfonylmethyl)oxolane

C7H12O3S — CID 106493737

IUPAC2-(ethenylsulfonylmethyl)oxolane
SMILESC=CS(=O)(=O)CC1CCCO1
InChIInChI=1S/C7H12O3S/c1-2-11(8,9)6-7-4-3-5-10-7/h2,7H,1,3-6H2
InChIKeyKEYWDCYPQNJLFP-UHFFFAOYSA-N
MW176.24 g/mol
LogP0.72
Rot. Bonds3

About 2-(ethenylsulfonylmethyl)oxolane

2-(ethenylsulfonylmethyl)oxolane (PubChem CID 106493737) has the molecular formula C7H12O3S and a molecular weight of 176.24 g/mol. Its IUPAC name is 2-(ethenylsulfonylmethyl)oxolane.

Molecular Properties

Compound Name2-(ethenylsulfonylmethyl)oxolane
PubChem CID106493737
Molecular FormulaC7H12O3S
Molecular Weight176.24 g/mol
Exact Mass176.05
IUPAC Name2-(ethenylsulfonylmethyl)oxolane
SMILESC=CS(=O)(=O)CC1CCCO1
InChIInChI=1S/C7H12O3S/c1-2-11(8,9)6-7-4-3-5-10-7/h2,7H,1,3-6H2
InChIKeyKEYWDCYPQNJLFP-UHFFFAOYSA-N
XLogP0.72
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Furan, tetrahydro-2-((methylsulfonyl)methyl)-
CID 27251
Furan, tetrahydro-2-((methylsulfinyl)methyl)-
CID 203869
2-[[(R)-methylsulfinyl]methyl]oxolane
CID 10909722
2-[[(S)-methylsulfinyl]methyl]oxolane
CID 11126428
(S)-2-methanesulfonylmethyl-tetrahydrofuran
CID 68988132
(2S)-2-methyl-2-methylsulfonyloxolane
CID 68988137
(R)-2-methanesulfonylmethyl-tetrahydrofuran
CID 68993549
(2R)-2-methyl-2-methylsulfonyloxolane
CID 68993550
2-Methyl-2-methylsulfonyloxolane
CID 77585515
2-Deuterio-2-(methylsulfonylmethyl)oxolane
CID 175783916
2-(1-Ethenoxyethyl)thiolane 1,1-dioxide
CID 176602943
2-(Ethenoxymethyl)thiolane 1,1-dioxide
CID 176604094

Frequently Asked Questions

What is the IUPAC name of 2-(ethenylsulfonylmethyl)oxolane?
The IUPAC name of 2-(ethenylsulfonylmethyl)oxolane (CID 106493737) is 2-(ethenylsulfonylmethyl)oxolane.
What is the SMILES notation for 2-(ethenylsulfonylmethyl)oxolane?
The canonical SMILES for 2-(ethenylsulfonylmethyl)oxolane is C=CS(=O)(=O)CC1CCCO1.
What is the InChIKey of 2-(ethenylsulfonylmethyl)oxolane?
The InChIKey is KEYWDCYPQNJLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3S/c1-2-11(8,9)6-7-4-3-5-10-7/h2,7H,1,3-6H2.
What are the key properties of 2-(ethenylsulfonylmethyl)oxolane?
2-(ethenylsulfonylmethyl)oxolane has a molecular weight of 176.24 g/mol, XLogP of 0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethenylsulfonylmethyl)oxolane is sourced from PubChem (CID 106493737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).