2-ethyl-1-methylsulfonylpyrrolidine

C7H15NO2S — CID 13430732

IUPAC2-ethyl-1-methylsulfonylpyrrolidine
SMILESCCC1CCCN1S(C)(=O)=O
InChIInChI=1S/C7H15NO2S/c1-3-7-5-4-6-8(7)11(2,9)10/h7H,3-6H2,1-2H3
InChIKeySFUHPUZFFQWSNI-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.82
Rot. Bonds2

About 2-ethyl-1-methylsulfonylpyrrolidine

2-ethyl-1-methylsulfonylpyrrolidine (PubChem CID 13430732) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 2-ethyl-1-methylsulfonylpyrrolidine.

Molecular Properties

Compound Name2-ethyl-1-methylsulfonylpyrrolidine
PubChem CID13430732
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name2-ethyl-1-methylsulfonylpyrrolidine
SMILESCCC1CCCN1S(C)(=O)=O
InChIInChI=1S/C7H15NO2S/c1-3-7-5-4-6-8(7)11(2,9)10/h7H,3-6H2,1-2H3
InChIKeySFUHPUZFFQWSNI-UHFFFAOYSA-N
XLogP0.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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-ethyl-1-methylsulfonylpyrrolidine?
The IUPAC name of 2-ethyl-1-methylsulfonylpyrrolidine (CID 13430732) is 2-ethyl-1-methylsulfonylpyrrolidine.
What is the SMILES notation for 2-ethyl-1-methylsulfonylpyrrolidine?
The canonical SMILES for 2-ethyl-1-methylsulfonylpyrrolidine is CCC1CCCN1S(C)(=O)=O.
What is the InChIKey of 2-ethyl-1-methylsulfonylpyrrolidine?
The InChIKey is SFUHPUZFFQWSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-3-7-5-4-6-8(7)11(2,9)10/h7H,3-6H2,1-2H3.
What are the key properties of 2-ethyl-1-methylsulfonylpyrrolidine?
2-ethyl-1-methylsulfonylpyrrolidine has a molecular weight of 177.27 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-methylsulfonylpyrrolidine is sourced from PubChem (CID 13430732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).