3-(2-methoxyethoxy)thiolane 1,1-dioxide

C7H14O4S — CID 3445212

IUPAC3-(2-methoxyethoxy)thiolane 1,1-dioxide
SMILESCOCCOC1CCS(=O)(=O)C1
InChIInChI=1S/C7H14O4S/c1-10-3-4-11-7-2-5-12(8,9)6-7/h7H,2-6H2,1H3
InChIKeyCCBTUSIGHLKOKD-UHFFFAOYSA-N
MW194.25 g/mol
LogP-0.16
Rot. Bonds4

About 3-(2-methoxyethoxy)thiolane 1,1-dioxide

3-(2-methoxyethoxy)thiolane 1,1-dioxide (PubChem CID 3445212) has the molecular formula C7H14O4S and a molecular weight of 194.25 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(2-methoxyethoxy)thiolane 1,1-dioxide
PubChem CID3445212
Molecular FormulaC7H14O4S
Molecular Weight194.25 g/mol
Exact Mass194.06
IUPAC Name3-(2-methoxyethoxy)thiolane 1,1-dioxide
SMILESCOCCOC1CCS(=O)(=O)C1
InChIInChI=1S/C7H14O4S/c1-10-3-4-11-7-2-5-12(8,9)6-7/h7H,2-6H2,1H3
InChIKeyCCBTUSIGHLKOKD-UHFFFAOYSA-N
XLogP-0.16
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)thiolane 1,1-dioxide?
The IUPAC name of 3-(2-methoxyethoxy)thiolane 1,1-dioxide (CID 3445212) is 3-(2-methoxyethoxy)thiolane 1,1-dioxide.
What is the SMILES notation for 3-(2-methoxyethoxy)thiolane 1,1-dioxide?
The canonical SMILES for 3-(2-methoxyethoxy)thiolane 1,1-dioxide is COCCOC1CCS(=O)(=O)C1.
What is the InChIKey of 3-(2-methoxyethoxy)thiolane 1,1-dioxide?
The InChIKey is CCBTUSIGHLKOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4S/c1-10-3-4-11-7-2-5-12(8,9)6-7/h7H,2-6H2,1H3.
What are the key properties of 3-(2-methoxyethoxy)thiolane 1,1-dioxide?
3-(2-methoxyethoxy)thiolane 1,1-dioxide has a molecular weight of 194.25 g/mol, XLogP of -0.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)thiolane 1,1-dioxide is sourced from PubChem (CID 3445212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).