3-(tert-butylsulfonylmethyl)-3-ethyloxetane

C10H20O3S — CID 160692119

IUPAC3-(tert-butylsulfonylmethyl)-3-ethyloxetane
SMILESCCC1(CS(=O)(=O)C(C)(C)C)COC1
InChIInChI=1S/C10H20O3S/c1-5-10(6-13-7-10)8-14(11,12)9(2,3)4/h5-8H2,1-4H3
InChIKeyMCSBLSNGNYVIAS-UHFFFAOYSA-N
MW220.33 g/mol
LogP1.63
Rot. Bonds3

About 3-(tert-butylsulfonylmethyl)-3-ethyloxetane

3-(tert-butylsulfonylmethyl)-3-ethyloxetane (PubChem CID 160692119) has the molecular formula C10H20O3S and a molecular weight of 220.33 g/mol. Its IUPAC name is 3-(tert-butylsulfonylmethyl)-3-ethyloxetane.

Molecular Properties

Compound Name3-(tert-butylsulfonylmethyl)-3-ethyloxetane
PubChem CID160692119
Molecular FormulaC10H20O3S
Molecular Weight220.33 g/mol
Exact Mass220.11
IUPAC Name3-(tert-butylsulfonylmethyl)-3-ethyloxetane
SMILESCCC1(CS(=O)(=O)C(C)(C)C)COC1
InChIInChI=1S/C10H20O3S/c1-5-10(6-13-7-10)8-14(11,12)9(2,3)4/h5-8H2,1-4H3
InChIKeyMCSBLSNGNYVIAS-UHFFFAOYSA-N
XLogP1.63
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.33
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[Difluoro(3-methylbutylsulfonyl)methyl]-3-propan-2-yloxetane
CID 164775754
3-Methyl-3-(2-methylpropylsulfonyl)oxetane
CID 58814819
3-Ethyl-3-(methylsulfonylmethyl)oxetane
CID 68471956
3,3'-Sulfonylbis(methylene)bis(3-methyloxetane)
CID 71522687
(3-Ethyloxetan-3-yl)methyl ethanesulfonate
CID 87531025
1-(2-Methoxyethylsulfonyl)-3,3-dimethylbutane
CID 88274312
3-Ethylsulfonyl-3-(methoxymethyl)pentane
CID 88883854
2-Oxa-6lambda6-thiaspiro[3.4]octane 6,6-dioxide
CID 118609077
4-(Methoxymethyl)-4-methylthiane 1,1-dioxide
CID 118656769
3-Tert-butyl-3-methylsulfonyloxetane
CID 126763965
3-Tert-butyl-3-methoxythietane 1,1-dioxide
CID 126764356
1-Methoxy-2,2,4,4-tetramethyl-5-methylsulfonylpentane
CID 130350882

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylsulfonylmethyl)-3-ethyloxetane?
The IUPAC name of 3-(tert-butylsulfonylmethyl)-3-ethyloxetane (CID 160692119) is 3-(tert-butylsulfonylmethyl)-3-ethyloxetane.
What is the SMILES notation for 3-(tert-butylsulfonylmethyl)-3-ethyloxetane?
The canonical SMILES for 3-(tert-butylsulfonylmethyl)-3-ethyloxetane is CCC1(CS(=O)(=O)C(C)(C)C)COC1.
What is the InChIKey of 3-(tert-butylsulfonylmethyl)-3-ethyloxetane?
The InChIKey is MCSBLSNGNYVIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3S/c1-5-10(6-13-7-10)8-14(11,12)9(2,3)4/h5-8H2,1-4H3.
What are the key properties of 3-(tert-butylsulfonylmethyl)-3-ethyloxetane?
3-(tert-butylsulfonylmethyl)-3-ethyloxetane has a molecular weight of 220.33 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylsulfonylmethyl)-3-ethyloxetane is sourced from PubChem (CID 160692119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).