3-(ethylsulfonylmethyl)oxolane

C7H14O3S — CID 130653595

IUPAC3-(ethylsulfonylmethyl)oxolane
SMILESCCS(=O)(=O)CC1CCOC1
InChIInChI=1S/C7H14O3S/c1-2-11(8,9)6-7-3-4-10-5-7/h7H,2-6H2,1H3
InChIKeyLYLKNSBRQSFSRD-UHFFFAOYSA-N
MW178.25 g/mol
LogP0.46
Rot. Bonds3

About 3-(ethylsulfonylmethyl)oxolane

3-(ethylsulfonylmethyl)oxolane (PubChem CID 130653595) has the molecular formula C7H14O3S and a molecular weight of 178.25 g/mol. Its IUPAC name is 3-(ethylsulfonylmethyl)oxolane.

Molecular Properties

Compound Name3-(ethylsulfonylmethyl)oxolane
PubChem CID130653595
Molecular FormulaC7H14O3S
Molecular Weight178.25 g/mol
Exact Mass178.07
IUPAC Name3-(ethylsulfonylmethyl)oxolane
SMILESCCS(=O)(=O)CC1CCOC1
InChIInChI=1S/C7H14O3S/c1-2-11(8,9)6-7-3-4-10-5-7/h7H,2-6H2,1H3
InChIKeyLYLKNSBRQSFSRD-UHFFFAOYSA-N
XLogP0.46
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Isopropyloxysulfolane
CID 18508821
Methoxysulfolane
CID 53796559
Butoxysulfolane
CID 129785244
Ethoxysulfolane
CID 129789412
2-Ethoxythiolanone
CID 166176912
3-(Trifluoromethylsulfonylmethyl)oxolane
CID 130686536
2,4,4-Trimethyl-1,3-oxathiolane 3,3-dioxide
CID 12517154
Thiophene, tetrahydro-3-(2-methylpropoxy)-, 1,1-dioxide
CID 3783244
2-Isopropyl-1,3-oxathiolane 3,3-dioxide
CID 12629506
2-(2-Methylpropoxy)thiolane 1,1-dioxide
CID 18921416
3-Methoxy-4-methylthiolane 1,1-dioxide
CID 20482282
3-Ethyl-2-methoxythiolane 1,1-dioxide
CID 53729688

Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfonylmethyl)oxolane?
The IUPAC name of 3-(ethylsulfonylmethyl)oxolane (CID 130653595) is 3-(ethylsulfonylmethyl)oxolane.
What is the SMILES notation for 3-(ethylsulfonylmethyl)oxolane?
The canonical SMILES for 3-(ethylsulfonylmethyl)oxolane is CCS(=O)(=O)CC1CCOC1.
What is the InChIKey of 3-(ethylsulfonylmethyl)oxolane?
The InChIKey is LYLKNSBRQSFSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3S/c1-2-11(8,9)6-7-3-4-10-5-7/h7H,2-6H2,1H3.
What are the key properties of 3-(ethylsulfonylmethyl)oxolane?
3-(ethylsulfonylmethyl)oxolane has a molecular weight of 178.25 g/mol, XLogP of 0.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfonylmethyl)oxolane is sourced from PubChem (CID 130653595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).