2-(methoxymethyl)-5-methyl-1-methylsulfonylpyrrolidine

C8H17NO3S — CID 59877332

IUPAC2-(methoxymethyl)-5-methyl-1-methylsulfonylpyrrolidine
SMILESCOCC1CCC(C)N1S(C)(=O)=O
InChIInChI=1S/C8H17NO3S/c1-7-4-5-8(6-12-2)9(7)13(3,10)11/h7-8H,4-6H2,1-3H3
InChIKeySMBGETNINLRNMD-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.45
Rot. Bonds3

About 2-(methoxymethyl)-5-methyl-1-methylsulfonylpyrrolidine

2-(methoxymethyl)-5-methyl-1-methylsulfonylpyrrolidine (PubChem CID 59877332) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 2-(methoxymethyl)-5-methyl-1-methylsulfonylpyrrolidine.

Molecular Properties

Compound Name2-(methoxymethyl)-5-methyl-1-methylsulfonylpyrrolidine
PubChem CID59877332
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name2-(methoxymethyl)-5-methyl-1-methylsulfonylpyrrolidine
SMILESCOCC1CCC(C)N1S(C)(=O)=O
InChIInChI=1S/C8H17NO3S/c1-7-4-5-8(6-12-2)9(7)13(3,10)11/h7-8H,4-6H2,1-3H3
InChIKeySMBGETNINLRNMD-UHFFFAOYSA-N
XLogP0.45
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-5-methyl-1-methylsulfonylpyrrolidine?
The IUPAC name of 2-(methoxymethyl)-5-methyl-1-methylsulfonylpyrrolidine (CID 59877332) is 2-(methoxymethyl)-5-methyl-1-methylsulfonylpyrrolidine.
What is the SMILES notation for 2-(methoxymethyl)-5-methyl-1-methylsulfonylpyrrolidine?
The canonical SMILES for 2-(methoxymethyl)-5-methyl-1-methylsulfonylpyrrolidine is COCC1CCC(C)N1S(C)(=O)=O.
What is the InChIKey of 2-(methoxymethyl)-5-methyl-1-methylsulfonylpyrrolidine?
The InChIKey is SMBGETNINLRNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-7-4-5-8(6-12-2)9(7)13(3,10)11/h7-8H,4-6H2,1-3H3.
What are the key properties of 2-(methoxymethyl)-5-methyl-1-methylsulfonylpyrrolidine?
2-(methoxymethyl)-5-methyl-1-methylsulfonylpyrrolidine has a molecular weight of 207.29 g/mol, XLogP of 0.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-5-methyl-1-methylsulfonylpyrrolidine is sourced from PubChem (CID 59877332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).