3-methyl-3-(propylsulfonylmethyl)oxetane

C8H16O3S — CID 130383023

IUPAC3-methyl-3-(propylsulfonylmethyl)oxetane
SMILESCCCS(=O)(=O)CC1(C)COC1
InChIInChI=1S/C8H16O3S/c1-3-4-12(9,10)7-8(2)5-11-6-8/h3-7H2,1-2H3
InChIKeyQNQNLLHWQIFITM-UHFFFAOYSA-N
MW192.28 g/mol
LogP0.85
Rot. Bonds4

About 3-methyl-3-(propylsulfonylmethyl)oxetane

3-methyl-3-(propylsulfonylmethyl)oxetane (PubChem CID 130383023) has the molecular formula C8H16O3S and a molecular weight of 192.28 g/mol. Its IUPAC name is 3-methyl-3-(propylsulfonylmethyl)oxetane.

Molecular Properties

Compound Name3-methyl-3-(propylsulfonylmethyl)oxetane
PubChem CID130383023
Molecular FormulaC8H16O3S
Molecular Weight192.28 g/mol
Exact Mass192.08
IUPAC Name3-methyl-3-(propylsulfonylmethyl)oxetane
SMILESCCCS(=O)(=O)CC1(C)COC1
InChIInChI=1S/C8H16O3S/c1-3-4-12(9,10)7-8(2)5-11-6-8/h3-7H2,1-2H3
InChIKeyQNQNLLHWQIFITM-UHFFFAOYSA-N
XLogP0.85
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(propylsulfonylmethyl)oxetane?
The IUPAC name of 3-methyl-3-(propylsulfonylmethyl)oxetane (CID 130383023) is 3-methyl-3-(propylsulfonylmethyl)oxetane.
What is the SMILES notation for 3-methyl-3-(propylsulfonylmethyl)oxetane?
The canonical SMILES for 3-methyl-3-(propylsulfonylmethyl)oxetane is CCCS(=O)(=O)CC1(C)COC1.
What is the InChIKey of 3-methyl-3-(propylsulfonylmethyl)oxetane?
The InChIKey is QNQNLLHWQIFITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3S/c1-3-4-12(9,10)7-8(2)5-11-6-8/h3-7H2,1-2H3.
What are the key properties of 3-methyl-3-(propylsulfonylmethyl)oxetane?
3-methyl-3-(propylsulfonylmethyl)oxetane has a molecular weight of 192.28 g/mol, XLogP of 0.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(propylsulfonylmethyl)oxetane is sourced from PubChem (CID 130383023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).