1-(2-methoxyethylsulfonyl)propane

C6H14O3S — CID 89027630

IUPAC1-(2-methoxyethylsulfonyl)propane
SMILESCCCS(=O)(=O)CCOC
InChIInChI=1S/C6H14O3S/c1-3-5-10(7,8)6-4-9-2/h3-6H2,1-2H3
InChIKeyVICVUHFIDQRSPQ-UHFFFAOYSA-N
MW166.24 g/mol
LogP0.46
Rot. Bonds5

About 1-(2-methoxyethylsulfonyl)propane

1-(2-methoxyethylsulfonyl)propane (PubChem CID 89027630) has the molecular formula C6H14O3S and a molecular weight of 166.24 g/mol. Its IUPAC name is 1-(2-methoxyethylsulfonyl)propane.

Molecular Properties

Compound Name1-(2-methoxyethylsulfonyl)propane
PubChem CID89027630
Molecular FormulaC6H14O3S
Molecular Weight166.24 g/mol
Exact Mass166.07
IUPAC Name1-(2-methoxyethylsulfonyl)propane
SMILESCCCS(=O)(=O)CCOC
InChIInChI=1S/C6H14O3S/c1-3-5-10(7,8)6-4-9-2/h3-6H2,1-2H3
InChIKeyVICVUHFIDQRSPQ-UHFFFAOYSA-N
XLogP0.46
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.24
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-1,4-oxathiane 4,4-dioxide
CID 2806244
Potassium 3-[(ethoxythioxomethyl)thio]propanesulphonate
CID 23662582
3-Methoxy-1lambda~6~-thiolane-1,1-dione
CID 287365
3-(Methylsulfanyl)propyl methanesulfonate
CID 22931856
ST50179549
CID 3813693
Methoxyethyl methyl sulfone
CID 13636059
2,3-Epoxypropyl ethyl sulfone
CID 12640995
2-(Butylsulfonyl)ethanol
CID 12943302
2,3-Epoxypropyl butyl sulfone
CID 13284956
1-(Ethylsulfinyl)-2-methoxyethane
CID 13776885
1-Methoxy-2-(2-methoxyethanesulfonyl)ethane
CID 15150067
Methoxysulfolane
CID 53796559

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethylsulfonyl)propane?
The IUPAC name of 1-(2-methoxyethylsulfonyl)propane (CID 89027630) is 1-(2-methoxyethylsulfonyl)propane.
What is the SMILES notation for 1-(2-methoxyethylsulfonyl)propane?
The canonical SMILES for 1-(2-methoxyethylsulfonyl)propane is CCCS(=O)(=O)CCOC.
What is the InChIKey of 1-(2-methoxyethylsulfonyl)propane?
The InChIKey is VICVUHFIDQRSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3S/c1-3-5-10(7,8)6-4-9-2/h3-6H2,1-2H3.
What are the key properties of 1-(2-methoxyethylsulfonyl)propane?
1-(2-methoxyethylsulfonyl)propane has a molecular weight of 166.24 g/mol, XLogP of 0.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethylsulfonyl)propane is sourced from PubChem (CID 89027630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).