3-(2-methoxyethyl)thiolane 1-oxide

C7H14O2S — CID 156869205

IUPAC3-(2-methoxyethyl)thiolane 1-oxide
SMILESCOCCC1CCS(=O)C1
InChIInChI=1S/C7H14O2S/c1-9-4-2-7-3-5-10(8)6-7/h7H,2-6H2,1H3
InChIKeyMJINERSEAPTWNK-UHFFFAOYSA-N
MW162.25 g/mol
LogP0.79
Rot. Bonds3

About 3-(2-methoxyethyl)thiolane 1-oxide

3-(2-methoxyethyl)thiolane 1-oxide (PubChem CID 156869205) has the molecular formula C7H14O2S and a molecular weight of 162.25 g/mol. Its IUPAC name is 3-(2-methoxyethyl)thiolane 1-oxide.

Molecular Properties

Compound Name3-(2-methoxyethyl)thiolane 1-oxide
PubChem CID156869205
Molecular FormulaC7H14O2S
Molecular Weight162.25 g/mol
Exact Mass162.07
IUPAC Name3-(2-methoxyethyl)thiolane 1-oxide
SMILESCOCCC1CCS(=O)C1
InChIInChI=1S/C7H14O2S/c1-9-4-2-7-3-5-10(8)6-7/h7H,2-6H2,1H3
InChIKeyMJINERSEAPTWNK-UHFFFAOYSA-N
XLogP0.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.25
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Ethyl-2-methoxythiolane
CID 19899991
3-Ethyl-2-methoxythiolane 1,1-dioxide
CID 53729688
3-(Methoxymethyl)thiolane 1,1-dioxide
CID 57609419
(3R)-3-[2-(2,3-dimethylbutan-2-ylsulfonyl)ethyl]oxolane
CID 59267877
(3S)-3-[2-(2,3-dimethylbutan-2-ylsulfonyl)ethyl]oxolane
CID 59267904
2-(1-Oxothiolan-3-yl)ethanol
CID 69453457
(3S)-3-(2-tert-butylsulfonylethyl)oxolane
CID 70896915
(3R)-3-(2-tert-butylsulfonylethyl)oxolane
CID 70897065
3-(2-Tert-butylsulfonylethyl)oxolane
CID 77948516
4-(Methylsulfinylmethyl)oxane
CID 89224825
(3S)-3-(2-methylbutan-2-ylsulfinylmethyl)oxolane
CID 89983462
2-Oxa-5lambda4-thiaspiro[3.4]octane 5-oxide
CID 118609050

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)thiolane 1-oxide?
The IUPAC name of 3-(2-methoxyethyl)thiolane 1-oxide (CID 156869205) is 3-(2-methoxyethyl)thiolane 1-oxide.
What is the SMILES notation for 3-(2-methoxyethyl)thiolane 1-oxide?
The canonical SMILES for 3-(2-methoxyethyl)thiolane 1-oxide is COCCC1CCS(=O)C1.
What is the InChIKey of 3-(2-methoxyethyl)thiolane 1-oxide?
The InChIKey is MJINERSEAPTWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2S/c1-9-4-2-7-3-5-10(8)6-7/h7H,2-6H2,1H3.
What are the key properties of 3-(2-methoxyethyl)thiolane 1-oxide?
3-(2-methoxyethyl)thiolane 1-oxide has a molecular weight of 162.25 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)thiolane 1-oxide is sourced from PubChem (CID 156869205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).