4-(methoxymethyl)-2-methylsulfonylpyrrolidine

C7H15NO3S — CID 174771403

IUPAC4-(methoxymethyl)-2-methylsulfonylpyrrolidine
SMILESCOCC1CNC(S(C)(=O)=O)C1
InChIInChI=1S/C7H15NO3S/c1-11-5-6-3-7(8-4-6)12(2,9)10/h6-8H,3-5H2,1-2H3
InChIKeyGFYQNOMFBYDXDD-UHFFFAOYSA-N
MW193.27 g/mol
LogP-0.39
Rot. Bonds3

About 4-(methoxymethyl)-2-methylsulfonylpyrrolidine

4-(methoxymethyl)-2-methylsulfonylpyrrolidine (PubChem CID 174771403) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-methylsulfonylpyrrolidine.

Molecular Properties

Compound Name4-(methoxymethyl)-2-methylsulfonylpyrrolidine
PubChem CID174771403
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name4-(methoxymethyl)-2-methylsulfonylpyrrolidine
SMILESCOCC1CNC(S(C)(=O)=O)C1
InChIInChI=1S/C7H15NO3S/c1-11-5-6-3-7(8-4-6)12(2,9)10/h6-8H,3-5H2,1-2H3
InChIKeyGFYQNOMFBYDXDD-UHFFFAOYSA-N
XLogP-0.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-methylsulfonylpyrrolidine?
The IUPAC name of 4-(methoxymethyl)-2-methylsulfonylpyrrolidine (CID 174771403) is 4-(methoxymethyl)-2-methylsulfonylpyrrolidine.
What is the SMILES notation for 4-(methoxymethyl)-2-methylsulfonylpyrrolidine?
The canonical SMILES for 4-(methoxymethyl)-2-methylsulfonylpyrrolidine is COCC1CNC(S(C)(=O)=O)C1.
What is the InChIKey of 4-(methoxymethyl)-2-methylsulfonylpyrrolidine?
The InChIKey is GFYQNOMFBYDXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-11-5-6-3-7(8-4-6)12(2,9)10/h6-8H,3-5H2,1-2H3.
What are the key properties of 4-(methoxymethyl)-2-methylsulfonylpyrrolidine?
4-(methoxymethyl)-2-methylsulfonylpyrrolidine has a molecular weight of 193.27 g/mol, XLogP of -0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-methylsulfonylpyrrolidine is sourced from PubChem (CID 174771403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).