3-methyl-1-methylsulfonylpyrrolidine

C6H13NO2S — CID 20752922

IUPAC3-methyl-1-methylsulfonylpyrrolidine
SMILESCC1CCN(S(C)(=O)=O)C1
InChIInChI=1S/C6H13NO2S/c1-6-3-4-7(5-6)10(2,8)9/h6H,3-5H2,1-2H3
InChIKeyUTNBFGRJYOUMNB-UHFFFAOYSA-N
MW163.24 g/mol
LogP0.29
Rot. Bonds1

About 3-methyl-1-methylsulfonylpyrrolidine

3-methyl-1-methylsulfonylpyrrolidine (PubChem CID 20752922) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is 3-methyl-1-methylsulfonylpyrrolidine.

Molecular Properties

Compound Name3-methyl-1-methylsulfonylpyrrolidine
PubChem CID20752922
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name3-methyl-1-methylsulfonylpyrrolidine
SMILESCC1CCN(S(C)(=O)=O)C1
InChIInChI=1S/C6H13NO2S/c1-6-3-4-7(5-6)10(2,8)9/h6H,3-5H2,1-2H3
InChIKeyUTNBFGRJYOUMNB-UHFFFAOYSA-N
XLogP0.29
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-methylsulfonylpyrrolidine?
The IUPAC name of 3-methyl-1-methylsulfonylpyrrolidine (CID 20752922) is 3-methyl-1-methylsulfonylpyrrolidine.
What is the SMILES notation for 3-methyl-1-methylsulfonylpyrrolidine?
The canonical SMILES for 3-methyl-1-methylsulfonylpyrrolidine is CC1CCN(S(C)(=O)=O)C1.
What is the InChIKey of 3-methyl-1-methylsulfonylpyrrolidine?
The InChIKey is UTNBFGRJYOUMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-6-3-4-7(5-6)10(2,8)9/h6H,3-5H2,1-2H3.
What are the key properties of 3-methyl-1-methylsulfonylpyrrolidine?
3-methyl-1-methylsulfonylpyrrolidine has a molecular weight of 163.24 g/mol, XLogP of 0.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-methylsulfonylpyrrolidine is sourced from PubChem (CID 20752922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).