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

C7H14O3S — CID 156869141

IUPAC3-(2-methoxyethyl)thiolane 1,1-dioxide
SMILESCOCCC1CCS(=O)(=O)C1
InChIInChI=1S/C7H14O3S/c1-10-4-2-7-3-5-11(8,9)6-7/h7H,2-6H2,1H3
InChIKeyYDZCRGQWJDKVCT-UHFFFAOYSA-N
MW178.25 g/mol
LogP0.46
Rot. Bonds3

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

3-(2-methoxyethyl)thiolane 1,1-dioxide (PubChem CID 156869141) has the molecular formula C7H14O3S and a molecular weight of 178.25 g/mol. Its IUPAC name is 3-(2-methoxyethyl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(2-methoxyethyl)thiolane 1,1-dioxide
PubChem CID156869141
Molecular FormulaC7H14O3S
Molecular Weight178.25 g/mol
Exact Mass178.07
IUPAC Name3-(2-methoxyethyl)thiolane 1,1-dioxide
SMILESCOCCC1CCS(=O)(=O)C1
InChIInChI=1S/C7H14O3S/c1-10-4-2-7-3-5-11(8,9)6-7/h7H,2-6H2,1H3
InChIKeyYDZCRGQWJDKVCT-UHFFFAOYSA-N
XLogP0.46
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-Hydroxyethyl)-1lambda6-thiolane-1,1-dione
CID 20622991
2-Isopropyl-1,3-oxathiolane 3,3-dioxide
CID 12629506
3-Methoxy-4-methylthiolane 1,1-dioxide
CID 20482282
3-Ethyl-2-methoxythiolane 1,1-dioxide
CID 53729688
2-(2-Methoxyethyl)thiolane 1,1-dioxide
CID 53919572
3-Methoxy-2,4-dimethylthiolane 1,1-dioxide
CID 54301756
4-(Methoxymethyl)thiane 1,1-dioxide
CID 57609412
3-(Methoxymethyl)thiolane 1,1-dioxide
CID 57609419
3-(Methoxymethyl)-3-(2-methylpropylsulfonyl)pentane
CID 58814892
3-(Ethoxymethyl)-3-(2-methylpropylsulfonyl)pentane
CID 58814902
(3S)-3-[2-(2,3,3-trimethylbutan-2-ylsulfonyl)ethyl]oxolane
CID 59253296
(3R)-3-[2-(2,3-dimethylbutan-2-ylsulfonyl)ethyl]oxolane
CID 59267877

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)thiolane 1,1-dioxide?
The IUPAC name of 3-(2-methoxyethyl)thiolane 1,1-dioxide (CID 156869141) is 3-(2-methoxyethyl)thiolane 1,1-dioxide.
What is the SMILES notation for 3-(2-methoxyethyl)thiolane 1,1-dioxide?
The canonical SMILES for 3-(2-methoxyethyl)thiolane 1,1-dioxide is COCCC1CCS(=O)(=O)C1.
What is the InChIKey of 3-(2-methoxyethyl)thiolane 1,1-dioxide?
The InChIKey is YDZCRGQWJDKVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3S/c1-10-4-2-7-3-5-11(8,9)6-7/h7H,2-6H2,1H3.
What are the key properties of 3-(2-methoxyethyl)thiolane 1,1-dioxide?
3-(2-methoxyethyl)thiolane 1,1-dioxide has a molecular weight of 178.25 g/mol, XLogP of 0.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)thiolane 1,1-dioxide is sourced from PubChem (CID 156869141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).