2,5-dimethyl-1-methylsulfonylpyrrolidine

C7H15NO2S — CID 137318062

IUPAC2,5-dimethyl-1-methylsulfonylpyrrolidine
SMILESCC1CCC(C)N1S(C)(=O)=O
InChIInChI=1S/C7H15NO2S/c1-6-4-5-7(2)8(6)11(3,9)10/h6-7H,4-5H2,1-3H3
InChIKeyNIIGGDICLXQSEG-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.82
Rot. Bonds1

About 2,5-dimethyl-1-methylsulfonylpyrrolidine

2,5-dimethyl-1-methylsulfonylpyrrolidine (PubChem CID 137318062) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 2,5-dimethyl-1-methylsulfonylpyrrolidine.

Molecular Properties

Compound Name2,5-dimethyl-1-methylsulfonylpyrrolidine
PubChem CID137318062
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name2,5-dimethyl-1-methylsulfonylpyrrolidine
SMILESCC1CCC(C)N1S(C)(=O)=O
InChIInChI=1S/C7H15NO2S/c1-6-4-5-7(2)8(6)11(3,9)10/h6-7H,4-5H2,1-3H3
InChIKeyNIIGGDICLXQSEG-UHFFFAOYSA-N
XLogP0.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-methylsulfonylpyrrolidine?
The IUPAC name of 2,5-dimethyl-1-methylsulfonylpyrrolidine (CID 137318062) is 2,5-dimethyl-1-methylsulfonylpyrrolidine.
What is the SMILES notation for 2,5-dimethyl-1-methylsulfonylpyrrolidine?
The canonical SMILES for 2,5-dimethyl-1-methylsulfonylpyrrolidine is CC1CCC(C)N1S(C)(=O)=O.
What is the InChIKey of 2,5-dimethyl-1-methylsulfonylpyrrolidine?
The InChIKey is NIIGGDICLXQSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-6-4-5-7(2)8(6)11(3,9)10/h6-7H,4-5H2,1-3H3.
What are the key properties of 2,5-dimethyl-1-methylsulfonylpyrrolidine?
2,5-dimethyl-1-methylsulfonylpyrrolidine has a molecular weight of 177.27 g/mol, XLogP of 0.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-methylsulfonylpyrrolidine is sourced from PubChem (CID 137318062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).