3-(ethylsulfonylmethyl)oxetane

C6H12O3S — CID 117032063

IUPAC3-(ethylsulfonylmethyl)oxetane
SMILESCCS(=O)(=O)CC1COC1
InChIInChI=1S/C6H12O3S/c1-2-10(7,8)5-6-3-9-4-6/h6H,2-5H2,1H3
InChIKeyNYRFSXWKLNLUQQ-UHFFFAOYSA-N
MW164.23 g/mol
LogP0.07
Rot. Bonds3

About 3-(ethylsulfonylmethyl)oxetane

3-(ethylsulfonylmethyl)oxetane (PubChem CID 117032063) has the molecular formula C6H12O3S and a molecular weight of 164.23 g/mol. Its IUPAC name is 3-(ethylsulfonylmethyl)oxetane.

Molecular Properties

Compound Name3-(ethylsulfonylmethyl)oxetane
PubChem CID117032063
Molecular FormulaC6H12O3S
Molecular Weight164.23 g/mol
Exact Mass164.05
IUPAC Name3-(ethylsulfonylmethyl)oxetane
SMILESCCS(=O)(=O)CC1COC1
InChIInChI=1S/C6H12O3S/c1-2-10(7,8)5-6-3-9-4-6/h6H,2-5H2,1H3
InChIKeyNYRFSXWKLNLUQQ-UHFFFAOYSA-N
XLogP0.07
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-i-Butoxythietane 1,1-dioxide
CID 129755213
2-Propan-2-ylsulfinyloxetane
CID 135031365
2-Isopropyl-1,3-oxathiolane 3,3-dioxide
CID 12629506
1-Methoxy-2-methyl-3-methylsulfonylpropane
CID 23517259
1-Methoxy-3-methylsulfonylpropane
CID 23600255
2-(2-Methoxyethylsulfonyl)-2-methylpropane
CID 57752850
2-(2-Methoxyethylsulfonyl)propane
CID 57870606
3-Methyl-3-(2-methylpropylsulfonyl)oxetane
CID 58814819
1-Ethoxy-2-methyl-2-(2-methylpropylsulfonyl)propane
CID 58814916
1-Methoxy-2-methyl-2-(2-methylpropylsulfonyl)propane
CID 58814993
CID 59124402
CID 59124402
1-Methoxy-3-propan-2-ylsulfonylpropane
CID 59159506

Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfonylmethyl)oxetane?
The IUPAC name of 3-(ethylsulfonylmethyl)oxetane (CID 117032063) is 3-(ethylsulfonylmethyl)oxetane.
What is the SMILES notation for 3-(ethylsulfonylmethyl)oxetane?
The canonical SMILES for 3-(ethylsulfonylmethyl)oxetane is CCS(=O)(=O)CC1COC1.
What is the InChIKey of 3-(ethylsulfonylmethyl)oxetane?
The InChIKey is NYRFSXWKLNLUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3S/c1-2-10(7,8)5-6-3-9-4-6/h6H,2-5H2,1H3.
What are the key properties of 3-(ethylsulfonylmethyl)oxetane?
3-(ethylsulfonylmethyl)oxetane has a molecular weight of 164.23 g/mol, XLogP of 0.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfonylmethyl)oxetane is sourced from PubChem (CID 117032063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).