3-methoxy-2,4-dimethylthiolane 1,1-dioxide

C7H14O3S — CID 54301756

IUPAC3-methoxy-2,4-dimethylthiolane 1,1-dioxide
SMILESCOC1C(C)CS(=O)(=O)C1C
InChIInChI=1S/C7H14O3S/c1-5-4-11(8,9)6(2)7(5)10-3/h5-7H,4H2,1-3H3
InChIKeySERXAJLPVIAYMX-UHFFFAOYSA-N
MW178.25 g/mol
LogP0.45
Rot. Bonds1

About 3-methoxy-2,4-dimethylthiolane 1,1-dioxide

3-methoxy-2,4-dimethylthiolane 1,1-dioxide (PubChem CID 54301756) has the molecular formula C7H14O3S and a molecular weight of 178.25 g/mol. Its IUPAC name is 3-methoxy-2,4-dimethylthiolane 1,1-dioxide.

Molecular Properties

Compound Name3-methoxy-2,4-dimethylthiolane 1,1-dioxide
PubChem CID54301756
Molecular FormulaC7H14O3S
Molecular Weight178.25 g/mol
Exact Mass178.07
IUPAC Name3-methoxy-2,4-dimethylthiolane 1,1-dioxide
SMILESCOC1C(C)CS(=O)(=O)C1C
InChIInChI=1S/C7H14O3S/c1-5-4-11(8,9)6(2)7(5)10-3/h5-7H,4H2,1-3H3
InChIKeySERXAJLPVIAYMX-UHFFFAOYSA-N
XLogP0.45
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,4-dimethylthiolane 1,1-dioxide?
The IUPAC name of 3-methoxy-2,4-dimethylthiolane 1,1-dioxide (CID 54301756) is 3-methoxy-2,4-dimethylthiolane 1,1-dioxide.
What is the SMILES notation for 3-methoxy-2,4-dimethylthiolane 1,1-dioxide?
The canonical SMILES for 3-methoxy-2,4-dimethylthiolane 1,1-dioxide is COC1C(C)CS(=O)(=O)C1C.
What is the InChIKey of 3-methoxy-2,4-dimethylthiolane 1,1-dioxide?
The InChIKey is SERXAJLPVIAYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3S/c1-5-4-11(8,9)6(2)7(5)10-3/h5-7H,4H2,1-3H3.
What are the key properties of 3-methoxy-2,4-dimethylthiolane 1,1-dioxide?
3-methoxy-2,4-dimethylthiolane 1,1-dioxide has a molecular weight of 178.25 g/mol, XLogP of 0.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,4-dimethylthiolane 1,1-dioxide is sourced from PubChem (CID 54301756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).