2-(methoxymethyl)thiane 1-oxide

C7H14O2S — CID 142607537

IUPAC2-(methoxymethyl)thiane 1-oxide
SMILESCOCC1CCCCS1=O
InChIInChI=1S/C7H14O2S/c1-9-6-7-4-2-3-5-10(7)8/h7H,2-6H2,1H3
InChIKeyBSOSPACEWSJXQR-UHFFFAOYSA-N
MW162.25 g/mol
LogP0.93
Rot. Bonds2

About 2-(methoxymethyl)thiane 1-oxide

2-(methoxymethyl)thiane 1-oxide (PubChem CID 142607537) has the molecular formula C7H14O2S and a molecular weight of 162.25 g/mol. Its IUPAC name is 2-(methoxymethyl)thiane 1-oxide.

Molecular Properties

Compound Name2-(methoxymethyl)thiane 1-oxide
PubChem CID142607537
Molecular FormulaC7H14O2S
Molecular Weight162.25 g/mol
Exact Mass162.07
IUPAC Name2-(methoxymethyl)thiane 1-oxide
SMILESCOCC1CCCCS1=O
InChIInChI=1S/C7H14O2S/c1-9-6-7-4-2-3-5-10(7)8/h7H,2-6H2,1H3
InChIKeyBSOSPACEWSJXQR-UHFFFAOYSA-N
XLogP0.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.25
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)thiane 1-oxide?
The IUPAC name of 2-(methoxymethyl)thiane 1-oxide (CID 142607537) is 2-(methoxymethyl)thiane 1-oxide.
What is the SMILES notation for 2-(methoxymethyl)thiane 1-oxide?
The canonical SMILES for 2-(methoxymethyl)thiane 1-oxide is COCC1CCCCS1=O.
What is the InChIKey of 2-(methoxymethyl)thiane 1-oxide?
The InChIKey is BSOSPACEWSJXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2S/c1-9-6-7-4-2-3-5-10(7)8/h7H,2-6H2,1H3.
What are the key properties of 2-(methoxymethyl)thiane 1-oxide?
2-(methoxymethyl)thiane 1-oxide has a molecular weight of 162.25 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)thiane 1-oxide is sourced from PubChem (CID 142607537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).