1-methoxy-2-methylsulfonylpropane

C5H12O3S — CID 21354295

IUPAC1-methoxy-2-methylsulfonylpropane
SMILESCOCC(C)S(C)(=O)=O
InChIInChI=1S/C5H12O3S/c1-5(4-8-2)9(3,6)7/h5H,4H2,1-3H3
InChIKeyCASFMKOQEPBZKG-UHFFFAOYSA-N
MW152.21 g/mol
LogP0.07
Rot. Bonds3

About 1-methoxy-2-methylsulfonylpropane

1-methoxy-2-methylsulfonylpropane (PubChem CID 21354295) has the molecular formula C5H12O3S and a molecular weight of 152.21 g/mol. Its IUPAC name is 1-methoxy-2-methylsulfonylpropane.

Molecular Properties

Compound Name1-methoxy-2-methylsulfonylpropane
PubChem CID21354295
Molecular FormulaC5H12O3S
Molecular Weight152.21 g/mol
Exact Mass152.05
IUPAC Name1-methoxy-2-methylsulfonylpropane
SMILESCOCC(C)S(C)(=O)=O
InChIInChI=1S/C5H12O3S/c1-5(4-8-2)9(3,6)7/h5H,4H2,1-3H3
InChIKeyCASFMKOQEPBZKG-UHFFFAOYSA-N
XLogP0.07
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.21
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl ethanesulfonate
CID 74704
1-Propanesulfonic acid, propyl ester
CID 152100
1-Propanesulfonic acid, ethyl ester
CID 150333
3-Methoxypropane-1-sulfonyl chloride
CID 20242868
3-(Methylsulfanyl)propyl methanesulfonate
CID 22931856
1-Methoxypropane-2-sulfonyl chloride
CID 54593349
4-Methoxybutane-1-sulfonyl chloride
CID 57244474
1-(Ethenesulfonyl)-2-methoxyethane
CID 59651482
4-Methoxybutane-2-sulfonyl chloride
CID 62084725
3-Ethoxypropane-1-sulfonyl chloride
CID 64147175
2-Propoxyethane-1-sulfonyl chloride
CID 64197977
Methoxyethyl methyl sulfone
CID 13636059

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methylsulfonylpropane?
The IUPAC name of 1-methoxy-2-methylsulfonylpropane (CID 21354295) is 1-methoxy-2-methylsulfonylpropane.
What is the SMILES notation for 1-methoxy-2-methylsulfonylpropane?
The canonical SMILES for 1-methoxy-2-methylsulfonylpropane is COCC(C)S(C)(=O)=O.
What is the InChIKey of 1-methoxy-2-methylsulfonylpropane?
The InChIKey is CASFMKOQEPBZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O3S/c1-5(4-8-2)9(3,6)7/h5H,4H2,1-3H3.
What are the key properties of 1-methoxy-2-methylsulfonylpropane?
1-methoxy-2-methylsulfonylpropane has a molecular weight of 152.21 g/mol, XLogP of 0.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methylsulfonylpropane is sourced from PubChem (CID 21354295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).