3-(propan-2-ylsulfonylmethyl)oxetane

C7H14O3S — CID 117032064

IUPAC3-(propan-2-ylsulfonylmethyl)oxetane
SMILESCC(C)S(=O)(=O)CC1COC1
InChIInChI=1S/C7H14O3S/c1-6(2)11(8,9)5-7-3-10-4-7/h6-7H,3-5H2,1-2H3
InChIKeyONXSGPDTDLWXTC-UHFFFAOYSA-N
MW178.25 g/mol
LogP0.46
Rot. Bonds3

About 3-(propan-2-ylsulfonylmethyl)oxetane

3-(propan-2-ylsulfonylmethyl)oxetane (PubChem CID 117032064) has the molecular formula C7H14O3S and a molecular weight of 178.25 g/mol. Its IUPAC name is 3-(propan-2-ylsulfonylmethyl)oxetane.

Molecular Properties

Compound Name3-(propan-2-ylsulfonylmethyl)oxetane
PubChem CID117032064
Molecular FormulaC7H14O3S
Molecular Weight178.25 g/mol
Exact Mass178.07
IUPAC Name3-(propan-2-ylsulfonylmethyl)oxetane
SMILESCC(C)S(=O)(=O)CC1COC1
InChIInChI=1S/C7H14O3S/c1-6(2)11(8,9)5-7-3-10-4-7/h6-7H,3-5H2,1-2H3
InChIKeyONXSGPDTDLWXTC-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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Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-ylsulfonylmethyl)oxetane?
The IUPAC name of 3-(propan-2-ylsulfonylmethyl)oxetane (CID 117032064) is 3-(propan-2-ylsulfonylmethyl)oxetane.
What is the SMILES notation for 3-(propan-2-ylsulfonylmethyl)oxetane?
The canonical SMILES for 3-(propan-2-ylsulfonylmethyl)oxetane is CC(C)S(=O)(=O)CC1COC1.
What is the InChIKey of 3-(propan-2-ylsulfonylmethyl)oxetane?
The InChIKey is ONXSGPDTDLWXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3S/c1-6(2)11(8,9)5-7-3-10-4-7/h6-7H,3-5H2,1-2H3.
What are the key properties of 3-(propan-2-ylsulfonylmethyl)oxetane?
3-(propan-2-ylsulfonylmethyl)oxetane 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-(propan-2-ylsulfonylmethyl)oxetane is sourced from PubChem (CID 117032064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).