(2R)-2-(2-fluorophenyl)-1-methylsulfonylpyrrolidine

C11H14FNO2S — CID 51694778

IUPAC(2R)-2-(2-fluorophenyl)-1-methylsulfonylpyrrolidine
SMILESCS(=O)(=O)N1CCC[C@@H]1c1ccccc1F
InChIInChI=1S/C11H14FNO2S/c1-16(14,15)13-8-4-7-11(13)9-5-2-3-6-10(9)12/h2-3,5-6,11H,4,7-8H2,1H3/t11-/m1/s1
InChIKeyYICCAKNBFPLYGK-LLVKDONJSA-N
MW243.30 g/mol
LogP1.92
Rot. Bonds2

About (2R)-2-(2-fluorophenyl)-1-methylsulfonylpyrrolidine

(2R)-2-(2-fluorophenyl)-1-methylsulfonylpyrrolidine (PubChem CID 51694778) has the molecular formula C11H14FNO2S and a molecular weight of 243.30 g/mol. Its IUPAC name is (2R)-2-(2-fluorophenyl)-1-methylsulfonylpyrrolidine.

Molecular Properties

Compound Name(2R)-2-(2-fluorophenyl)-1-methylsulfonylpyrrolidine
PubChem CID51694778
Molecular FormulaC11H14FNO2S
Molecular Weight243.30 g/mol
Exact Mass243.07
IUPAC Name(2R)-2-(2-fluorophenyl)-1-methylsulfonylpyrrolidine
SMILESCS(=O)(=O)N1CCC[C@@H]1c1ccccc1F
InChIInChI=1S/C11H14FNO2S/c1-16(14,15)13-8-4-7-11(13)9-5-2-3-6-10(9)12/h2-3,5-6,11H,4,7-8H2,1H3/t11-/m1/s1
InChIKeyYICCAKNBFPLYGK-LLVKDONJSA-N
XLogP1.92
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(benzenesulfonyl)-2-(2-fluorophenyl)pyrrolidine
CID 51856093
(2R)-2-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51856499
(2S)-1-(4-ethoxyphenyl)sulfonyl-2-(2-fluorophenyl)pyrrolidine
CID 51856005
1-(difluoromethyl)-4-[(2S)-2-(2-fluorophenyl)pyrrolidin-1-yl]sulfonyl-5-methylpyrazole
CID 51855636
(2S)-2-(4-chlorophenyl)-1-methylsulfonylpyrrolidine
CID 51694759
2-(4-methylphenyl)-1-methylsulfonylpyrrolidine
CID 53003266
(2S)-2-(3-methylphenyl)-1-methylsulfonylpyrrolidine
CID 51694768
(2S)-1-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine
CID 51855972
1-[(S)-tert-butylsulfinyl]-2-(2-fluorophenyl)pyrrolidine
CID 171036245
2-[1-(2-fluorophenyl)-5-[(2S)-1-methylsulfonylpyrrolidin-2-yl]-1,2,4-triazol-3-yl]acetamide
CID 72853376
(2R)-1-(2,5-difluorophenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine
CID 51855969
2-(2,5-difluorophenyl)-1-(2-ethylphenyl)sulfonylpyrrolidine
CID 166330262

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-fluorophenyl)-1-methylsulfonylpyrrolidine?
The IUPAC name of (2R)-2-(2-fluorophenyl)-1-methylsulfonylpyrrolidine (CID 51694778) is (2R)-2-(2-fluorophenyl)-1-methylsulfonylpyrrolidine.
What is the SMILES notation for (2R)-2-(2-fluorophenyl)-1-methylsulfonylpyrrolidine?
The canonical SMILES for (2R)-2-(2-fluorophenyl)-1-methylsulfonylpyrrolidine is CS(=O)(=O)N1CCC[C@@H]1c1ccccc1F.
What is the InChIKey of (2R)-2-(2-fluorophenyl)-1-methylsulfonylpyrrolidine?
The InChIKey is YICCAKNBFPLYGK-LLVKDONJSA-N. The full InChI is InChI=1S/C11H14FNO2S/c1-16(14,15)13-8-4-7-11(13)9-5-2-3-6-10(9)12/h2-3,5-6,11H,4,7-8H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-2-(2-fluorophenyl)-1-methylsulfonylpyrrolidine?
(2R)-2-(2-fluorophenyl)-1-methylsulfonylpyrrolidine has a molecular weight of 243.30 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-fluorophenyl)-1-methylsulfonylpyrrolidine is sourced from PubChem (CID 51694778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).