3-fluoro-5-methyl-2-(methylsulfonylmethyl)-1-propan-2-ylpyrrolidine

C10H20FNO2S — CID 71221024

IUPAC3-fluoro-5-methyl-2-(methylsulfonylmethyl)-1-propan-2-ylpyrrolidine
SMILESCC(C)N1C(C)CC(F)C1CS(C)(=O)=O
InChIInChI=1S/C10H20FNO2S/c1-7(2)12-8(3)5-9(11)10(12)6-15(4,13)14/h7-10H,5-6H2,1-4H3
InChIKeyXPSIMPBZHPKSOK-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.24
Rot. Bonds3

About 3-fluoro-5-methyl-2-(methylsulfonylmethyl)-1-propan-2-ylpyrrolidine

3-fluoro-5-methyl-2-(methylsulfonylmethyl)-1-propan-2-ylpyrrolidine (PubChem CID 71221024) has the molecular formula C10H20FNO2S and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-fluoro-5-methyl-2-(methylsulfonylmethyl)-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name3-fluoro-5-methyl-2-(methylsulfonylmethyl)-1-propan-2-ylpyrrolidine
PubChem CID71221024
Molecular FormulaC10H20FNO2S
Molecular Weight237.34 g/mol
Exact Mass237.12
IUPAC Name3-fluoro-5-methyl-2-(methylsulfonylmethyl)-1-propan-2-ylpyrrolidine
SMILESCC(C)N1C(C)CC(F)C1CS(C)(=O)=O
InChIInChI=1S/C10H20FNO2S/c1-7(2)12-8(3)5-9(11)10(12)6-15(4,13)14/h7-10H,5-6H2,1-4H3
InChIKeyXPSIMPBZHPKSOK-UHFFFAOYSA-N
XLogP1.24
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methyl-2-(methylsulfonylmethyl)-1-propan-2-ylpyrrolidine?
The IUPAC name of 3-fluoro-5-methyl-2-(methylsulfonylmethyl)-1-propan-2-ylpyrrolidine (CID 71221024) is 3-fluoro-5-methyl-2-(methylsulfonylmethyl)-1-propan-2-ylpyrrolidine.
What is the SMILES notation for 3-fluoro-5-methyl-2-(methylsulfonylmethyl)-1-propan-2-ylpyrrolidine?
The canonical SMILES for 3-fluoro-5-methyl-2-(methylsulfonylmethyl)-1-propan-2-ylpyrrolidine is CC(C)N1C(C)CC(F)C1CS(C)(=O)=O.
What is the InChIKey of 3-fluoro-5-methyl-2-(methylsulfonylmethyl)-1-propan-2-ylpyrrolidine?
The InChIKey is XPSIMPBZHPKSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO2S/c1-7(2)12-8(3)5-9(11)10(12)6-15(4,13)14/h7-10H,5-6H2,1-4H3.
What are the key properties of 3-fluoro-5-methyl-2-(methylsulfonylmethyl)-1-propan-2-ylpyrrolidine?
3-fluoro-5-methyl-2-(methylsulfonylmethyl)-1-propan-2-ylpyrrolidine has a molecular weight of 237.34 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methyl-2-(methylsulfonylmethyl)-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 71221024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).