3-(methoxymethyl)-1-methylsulfonylpyrrolidine

C7H15NO3S — CID 64585555

IUPAC3-(methoxymethyl)-1-methylsulfonylpyrrolidine
SMILESCOCC1CCN(S(C)(=O)=O)C1
InChIInChI=1S/C7H15NO3S/c1-11-6-7-3-4-8(5-7)12(2,9)10/h7H,3-6H2,1-2H3
InChIKeySXTGDZBFPKDNCD-UHFFFAOYSA-N
MW193.27 g/mol
LogP-0.09
Rot. Bonds3

About 3-(methoxymethyl)-1-methylsulfonylpyrrolidine

3-(methoxymethyl)-1-methylsulfonylpyrrolidine (PubChem CID 64585555) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 3-(methoxymethyl)-1-methylsulfonylpyrrolidine.

Molecular Properties

Compound Name3-(methoxymethyl)-1-methylsulfonylpyrrolidine
PubChem CID64585555
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name3-(methoxymethyl)-1-methylsulfonylpyrrolidine
SMILESCOCC1CCN(S(C)(=O)=O)C1
InChIInChI=1S/C7H15NO3S/c1-11-6-7-3-4-8(5-7)12(2,9)10/h7H,3-6H2,1-2H3
InChIKeySXTGDZBFPKDNCD-UHFFFAOYSA-N
XLogP-0.09
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-Methanesulfonylpyrrolidin-3-yl)methanol
CID 62370439
3-(Methoxymethyl)pyrrolidine-1-sulfonamide
CID 64596834
3-Fluoro-3-(methoxymethyl)-1-methylsulfonylpyrrolidine
CID 152893530
(1-Methylpyrrolidin-3-yl)methyl methanesulfonate
CID 17998776
[(3R)-pyrrolidin-3-yl]methyl methanesulfonate
CID 18712867
[(3S)-pyrrolidin-3-yl]methyl methanesulfonate
CID 18712868
1-Cyclopropylmethyl-3-pyrrolidinemethanol methanesulfonate
CID 20031374
(1-Phosphanylpyrrolidin-3-yl)methyl methanesulfonate
CID 21130144
(Pyrrolidin-3-yl)methyl methanesulfonate
CID 22662916
[1-(Oxoboranylmethyl)pyrrolidin-3-yl]methyl methanesulfonate
CID 53886110
[(3S)-1-methylpyrrolidin-3-yl]methyl methanesulfonate
CID 57754808
3-Methoxy-4-methyl-1-methylsulfonylpyrrolidine
CID 68350327

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-1-methylsulfonylpyrrolidine?
The IUPAC name of 3-(methoxymethyl)-1-methylsulfonylpyrrolidine (CID 64585555) is 3-(methoxymethyl)-1-methylsulfonylpyrrolidine.
What is the SMILES notation for 3-(methoxymethyl)-1-methylsulfonylpyrrolidine?
The canonical SMILES for 3-(methoxymethyl)-1-methylsulfonylpyrrolidine is COCC1CCN(S(C)(=O)=O)C1.
What is the InChIKey of 3-(methoxymethyl)-1-methylsulfonylpyrrolidine?
The InChIKey is SXTGDZBFPKDNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-11-6-7-3-4-8(5-7)12(2,9)10/h7H,3-6H2,1-2H3.
What are the key properties of 3-(methoxymethyl)-1-methylsulfonylpyrrolidine?
3-(methoxymethyl)-1-methylsulfonylpyrrolidine has a molecular weight of 193.27 g/mol, XLogP of -0.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-1-methylsulfonylpyrrolidine is sourced from PubChem (CID 64585555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).