1-ethenylsulfonyl-1-methoxypropane

C6H12O3S — CID 175000706

IUPAC1-ethenylsulfonyl-1-methoxypropane
SMILESC=CS(=O)(=O)C(CC)OC
InChIInChI=1S/C6H12O3S/c1-4-6(9-3)10(7,8)5-2/h5-6H,2,4H2,1,3H3
InChIKeyINHSTOGNNLSGDL-UHFFFAOYSA-N
MW164.23 g/mol
LogP0.93
Rot. Bonds4

About 1-ethenylsulfonyl-1-methoxypropane

1-ethenylsulfonyl-1-methoxypropane (PubChem CID 175000706) has the molecular formula C6H12O3S and a molecular weight of 164.23 g/mol. Its IUPAC name is 1-ethenylsulfonyl-1-methoxypropane.

Molecular Properties

Compound Name1-ethenylsulfonyl-1-methoxypropane
PubChem CID175000706
Molecular FormulaC6H12O3S
Molecular Weight164.23 g/mol
Exact Mass164.05
IUPAC Name1-ethenylsulfonyl-1-methoxypropane
SMILESC=CS(=O)(=O)C(CC)OC
InChIInChI=1S/C6H12O3S/c1-4-6(9-3)10(7,8)5-2/h5-6H,2,4H2,1,3H3
InChIKeyINHSTOGNNLSGDL-UHFFFAOYSA-N
XLogP0.93
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylsulfonyl-1-methoxypropane?
The IUPAC name of 1-ethenylsulfonyl-1-methoxypropane (CID 175000706) is 1-ethenylsulfonyl-1-methoxypropane.
What is the SMILES notation for 1-ethenylsulfonyl-1-methoxypropane?
The canonical SMILES for 1-ethenylsulfonyl-1-methoxypropane is C=CS(=O)(=O)C(CC)OC.
What is the InChIKey of 1-ethenylsulfonyl-1-methoxypropane?
The InChIKey is INHSTOGNNLSGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3S/c1-4-6(9-3)10(7,8)5-2/h5-6H,2,4H2,1,3H3.
What are the key properties of 1-ethenylsulfonyl-1-methoxypropane?
1-ethenylsulfonyl-1-methoxypropane has a molecular weight of 164.23 g/mol, XLogP of 0.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylsulfonyl-1-methoxypropane is sourced from PubChem (CID 175000706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).