3-(methoxymethyl)thietane 1,1-dioxide

C5H10O3S — CID 155624920

IUPAC3-(methoxymethyl)thietane 1,1-dioxide
SMILESCOCC1CS(=O)(=O)C1
InChIInChI=1S/C5H10O3S/c1-8-2-5-3-9(6,7)4-5/h5H,2-4H2,1H3
InChIKeyAZZQJHODZNIPDR-UHFFFAOYSA-N
MW150.20 g/mol
LogP-0.32
Rot. Bonds2

About 3-(methoxymethyl)thietane 1,1-dioxide

3-(methoxymethyl)thietane 1,1-dioxide (PubChem CID 155624920) has the molecular formula C5H10O3S and a molecular weight of 150.20 g/mol. Its IUPAC name is 3-(methoxymethyl)thietane 1,1-dioxide.

Molecular Properties

Compound Name3-(methoxymethyl)thietane 1,1-dioxide
PubChem CID155624920
Molecular FormulaC5H10O3S
Molecular Weight150.20 g/mol
Exact Mass150.04
IUPAC Name3-(methoxymethyl)thietane 1,1-dioxide
SMILESCOCC1CS(=O)(=O)C1
InChIInChI=1S/C5H10O3S/c1-8-2-5-3-9(6,7)4-5/h5H,2-4H2,1H3
InChIKeyAZZQJHODZNIPDR-UHFFFAOYSA-N
XLogP-0.32
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 5-0.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)thietane 1,1-dioxide?
The IUPAC name of 3-(methoxymethyl)thietane 1,1-dioxide (CID 155624920) is 3-(methoxymethyl)thietane 1,1-dioxide.
What is the SMILES notation for 3-(methoxymethyl)thietane 1,1-dioxide?
The canonical SMILES for 3-(methoxymethyl)thietane 1,1-dioxide is COCC1CS(=O)(=O)C1.
What is the InChIKey of 3-(methoxymethyl)thietane 1,1-dioxide?
The InChIKey is AZZQJHODZNIPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3S/c1-8-2-5-3-9(6,7)4-5/h5H,2-4H2,1H3.
What are the key properties of 3-(methoxymethyl)thietane 1,1-dioxide?
3-(methoxymethyl)thietane 1,1-dioxide has a molecular weight of 150.20 g/mol, XLogP of -0.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)thietane 1,1-dioxide is sourced from PubChem (CID 155624920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).