3-(ethoxymethyl)-1-methylsulfonylpyrrolidine

C8H17NO3S — CID 127402950

IUPAC3-(ethoxymethyl)-1-methylsulfonylpyrrolidine
SMILESCCOCC1CCN(S(C)(=O)=O)C1
InChIInChI=1S/C8H17NO3S/c1-3-12-7-8-4-5-9(6-8)13(2,10)11/h8H,3-7H2,1-2H3
InChIKeyOQNYCHKGRGVCNP-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.30
Rot. Bonds4

About 3-(ethoxymethyl)-1-methylsulfonylpyrrolidine

3-(ethoxymethyl)-1-methylsulfonylpyrrolidine (PubChem CID 127402950) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 3-(ethoxymethyl)-1-methylsulfonylpyrrolidine.

Molecular Properties

Compound Name3-(ethoxymethyl)-1-methylsulfonylpyrrolidine
PubChem CID127402950
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name3-(ethoxymethyl)-1-methylsulfonylpyrrolidine
SMILESCCOCC1CCN(S(C)(=O)=O)C1
InChIInChI=1S/C8H17NO3S/c1-3-12-7-8-4-5-9(6-8)13(2,10)11/h8H,3-7H2,1-2H3
InChIKeyOQNYCHKGRGVCNP-UHFFFAOYSA-N
XLogP0.30
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-1-methylsulfonylpyrrolidine?
The IUPAC name of 3-(ethoxymethyl)-1-methylsulfonylpyrrolidine (CID 127402950) is 3-(ethoxymethyl)-1-methylsulfonylpyrrolidine.
What is the SMILES notation for 3-(ethoxymethyl)-1-methylsulfonylpyrrolidine?
The canonical SMILES for 3-(ethoxymethyl)-1-methylsulfonylpyrrolidine is CCOCC1CCN(S(C)(=O)=O)C1.
What is the InChIKey of 3-(ethoxymethyl)-1-methylsulfonylpyrrolidine?
The InChIKey is OQNYCHKGRGVCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-3-12-7-8-4-5-9(6-8)13(2,10)11/h8H,3-7H2,1-2H3.
What are the key properties of 3-(ethoxymethyl)-1-methylsulfonylpyrrolidine?
3-(ethoxymethyl)-1-methylsulfonylpyrrolidine has a molecular weight of 207.29 g/mol, XLogP of 0.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-1-methylsulfonylpyrrolidine is sourced from PubChem (CID 127402950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).