3-ethylsulfonyl-3-methyloxetane

C6H12O3S — CID 70672930

IUPAC3-ethylsulfonyl-3-methyloxetane
SMILESCCS(=O)(=O)C1(C)COC1
InChIInChI=1S/C6H12O3S/c1-3-10(7,8)6(2)4-9-5-6/h3-5H2,1-2H3
InChIKeyTVELKLKFAGNOHO-UHFFFAOYSA-N
MW164.23 g/mol
LogP0.21
Rot. Bonds2

About 3-ethylsulfonyl-3-methyloxetane

3-ethylsulfonyl-3-methyloxetane (PubChem CID 70672930) has the molecular formula C6H12O3S and a molecular weight of 164.23 g/mol. Its IUPAC name is 3-ethylsulfonyl-3-methyloxetane.

Molecular Properties

Compound Name3-ethylsulfonyl-3-methyloxetane
PubChem CID70672930
Molecular FormulaC6H12O3S
Molecular Weight164.23 g/mol
Exact Mass164.05
IUPAC Name3-ethylsulfonyl-3-methyloxetane
SMILESCCS(=O)(=O)C1(C)COC1
InChIInChI=1S/C6H12O3S/c1-3-10(7,8)6(2)4-9-5-6/h3-5H2,1-2H3
InChIKeyTVELKLKFAGNOHO-UHFFFAOYSA-N
XLogP0.21
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-Methyloxetan-3-yl)methanesulfonyl chloride
CID 53484656
3-Ethoxythietane 1,1-dioxide
CID 129743373
3-Methoxythietane 1,1-dioxide
CID 57329464
1-Ethanesulfonyl-2-methoxy-ethane
CID 58973659
3-Isopropoxy-lambda 6-thietane 1,1-dioxide
CID 129742864
3-i-Butoxythietane 1,1-dioxide
CID 129755213
3-n-Propoxythietane 1,1-dioxide
CID 129756073
2-Propan-2-ylsulfinyloxetane
CID 135031365
2,4,4-Trimethyl-1,3-oxathiolane 3,3-dioxide
CID 12517154
1-Methoxy-2-methylsulfonylpropane
CID 21354295
3,3-Dimethyl-1,4-oxathiane 4,4-dioxide
CID 22093374
1-Methoxy-2-methyl-3-methylsulfonylpropane
CID 23517259

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfonyl-3-methyloxetane?
The IUPAC name of 3-ethylsulfonyl-3-methyloxetane (CID 70672930) is 3-ethylsulfonyl-3-methyloxetane.
What is the SMILES notation for 3-ethylsulfonyl-3-methyloxetane?
The canonical SMILES for 3-ethylsulfonyl-3-methyloxetane is CCS(=O)(=O)C1(C)COC1.
What is the InChIKey of 3-ethylsulfonyl-3-methyloxetane?
The InChIKey is TVELKLKFAGNOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3S/c1-3-10(7,8)6(2)4-9-5-6/h3-5H2,1-2H3.
What are the key properties of 3-ethylsulfonyl-3-methyloxetane?
3-ethylsulfonyl-3-methyloxetane has a molecular weight of 164.23 g/mol, XLogP of 0.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfonyl-3-methyloxetane is sourced from PubChem (CID 70672930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).