3-(benzenesulfinylmethyl)-3-methyloxetane

C11H14O2S — CID 129038017

IUPAC3-(benzenesulfinylmethyl)-3-methyloxetane
SMILESCC1(CS(=O)c2ccccc2)COC1
InChIInChI=1S/C11H14O2S/c1-11(7-13-8-11)9-14(12)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChIKeyPJJNKTKKDHYKEU-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.83
Rot. Bonds3

About 3-(benzenesulfinylmethyl)-3-methyloxetane

3-(benzenesulfinylmethyl)-3-methyloxetane (PubChem CID 129038017) has the molecular formula C11H14O2S and a molecular weight of 210.30 g/mol. Its IUPAC name is 3-(benzenesulfinylmethyl)-3-methyloxetane.

Molecular Properties

Compound Name3-(benzenesulfinylmethyl)-3-methyloxetane
PubChem CID129038017
Molecular FormulaC11H14O2S
Molecular Weight210.30 g/mol
Exact Mass210.07
IUPAC Name3-(benzenesulfinylmethyl)-3-methyloxetane
SMILESCC1(CS(=O)c2ccccc2)COC1
InChIInChI=1S/C11H14O2S/c1-11(7-13-8-11)9-14(12)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChIKeyPJJNKTKKDHYKEU-UHFFFAOYSA-N
XLogP1.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfinylmethyl)-3-methyloxetane?
The IUPAC name of 3-(benzenesulfinylmethyl)-3-methyloxetane (CID 129038017) is 3-(benzenesulfinylmethyl)-3-methyloxetane.
What is the SMILES notation for 3-(benzenesulfinylmethyl)-3-methyloxetane?
The canonical SMILES for 3-(benzenesulfinylmethyl)-3-methyloxetane is CC1(CS(=O)c2ccccc2)COC1.
What is the InChIKey of 3-(benzenesulfinylmethyl)-3-methyloxetane?
The InChIKey is PJJNKTKKDHYKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2S/c1-11(7-13-8-11)9-14(12)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3.
What are the key properties of 3-(benzenesulfinylmethyl)-3-methyloxetane?
3-(benzenesulfinylmethyl)-3-methyloxetane has a molecular weight of 210.30 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfinylmethyl)-3-methyloxetane is sourced from PubChem (CID 129038017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).