2-ethyl-1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidine

C13H18FNO2S — CID 83228170

IUPAC2-ethyl-1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidine
SMILESCCC1CCC(C)N1S(=O)(=O)c1ccccc1F
InChIInChI=1S/C13H18FNO2S/c1-3-11-9-8-10(2)15(11)18(16,17)13-7-5-4-6-12(13)14/h4-7,10-11H,3,8-9H2,1-2H3
InChIKeyGMDAGWDAMUUCTA-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.78
Rot. Bonds3

About 2-ethyl-1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidine

2-ethyl-1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidine (PubChem CID 83228170) has the molecular formula C13H18FNO2S and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-ethyl-1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidine.

Molecular Properties

Compound Name2-ethyl-1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidine
PubChem CID83228170
Molecular FormulaC13H18FNO2S
Molecular Weight271.36 g/mol
Exact Mass271.10
IUPAC Name2-ethyl-1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidine
SMILESCCC1CCC(C)N1S(=O)(=O)c1ccccc1F
InChIInChI=1S/C13H18FNO2S/c1-3-11-9-8-10(2)15(11)18(16,17)13-7-5-4-6-12(13)14/h4-7,10-11H,3,8-9H2,1-2H3
InChIKeyGMDAGWDAMUUCTA-UHFFFAOYSA-N
XLogP2.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidine?
The IUPAC name of 2-ethyl-1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidine (CID 83228170) is 2-ethyl-1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidine.
What is the SMILES notation for 2-ethyl-1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidine?
The canonical SMILES for 2-ethyl-1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidine is CCC1CCC(C)N1S(=O)(=O)c1ccccc1F.
What is the InChIKey of 2-ethyl-1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidine?
The InChIKey is GMDAGWDAMUUCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2S/c1-3-11-9-8-10(2)15(11)18(16,17)13-7-5-4-6-12(13)14/h4-7,10-11H,3,8-9H2,1-2H3.
What are the key properties of 2-ethyl-1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidine?
2-ethyl-1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidine has a molecular weight of 271.36 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidine is sourced from PubChem (CID 83228170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).