(3S)-3-(4-fluorophenyl)-1-[2-[(2S)-oxolan-2-yl]ethylsulfonyl]pyrrolidine

C16H22FNO3S — CID 97226472

IUPAC(3S)-3-(4-fluorophenyl)-1-[2-[(2S)-oxolan-2-yl]ethylsulfonyl]pyrrolidine
SMILESO=S(=O)(CC[C@@H]1CCCO1)N1CC[C@@H](c2ccc(F)cc2)C1
InChIInChI=1S/C16H22FNO3S/c17-15-5-3-13(4-6-15)14-7-9-18(12-14)22(19,20)11-8-16-2-1-10-21-16/h3-6,14,16H,1-2,7-12H2/t14-,16+/m1/s1
InChIKeyVEZKTSOUVKNLEL-ZBFHGGJFSA-N
MW327.42 g/mol
LogP2.51
Rot. Bonds5

About (3S)-3-(4-fluorophenyl)-1-[2-[(2S)-oxolan-2-yl]ethylsulfonyl]pyrrolidine

(3S)-3-(4-fluorophenyl)-1-[2-[(2S)-oxolan-2-yl]ethylsulfonyl]pyrrolidine (PubChem CID 97226472) has the molecular formula C16H22FNO3S and a molecular weight of 327.42 g/mol. Its IUPAC name is (3S)-3-(4-fluorophenyl)-1-[2-[(2S)-oxolan-2-yl]ethylsulfonyl]pyrrolidine.

Molecular Properties

Compound Name(3S)-3-(4-fluorophenyl)-1-[2-[(2S)-oxolan-2-yl]ethylsulfonyl]pyrrolidine
PubChem CID97226472
Molecular FormulaC16H22FNO3S
Molecular Weight327.42 g/mol
Exact Mass327.13
IUPAC Name(3S)-3-(4-fluorophenyl)-1-[2-[(2S)-oxolan-2-yl]ethylsulfonyl]pyrrolidine
SMILESO=S(=O)(CC[C@@H]1CCCO1)N1CC[C@@H](c2ccc(F)cc2)C1
InChIInChI=1S/C16H22FNO3S/c17-15-5-3-13(4-6-15)14-7-9-18(12-14)22(19,20)11-8-16-2-1-10-21-16/h3-6,14,16H,1-2,7-12H2/t14-,16+/m1/s1
InChIKeyVEZKTSOUVKNLEL-ZBFHGGJFSA-N
XLogP2.51
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3S)-3-(4-fluorophenyl)-1-[2-[(2S)-oxolan-2-yl]ethylsulfonyl]pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S,5R)-4-[(2-methylpropan-2-yl)oxymethyl]-1-oxido-5-phenyl-2-propan-2-yl-4,5-dihydro-3H-1,2-thiazole 1-oxide
CID 134786226
3-(2-Fluorophenyl)-1-(2-propan-2-yloxyethylsulfonyl)pyrrolidine
CID 71863447
5-fluoro-2-[(E)-2-[(2R)-oxolan-2-yl]ethenyl]sulfonyl-1,3-dihydroisoindole
CID 57855466
5-fluoro-2-[2-[(2R)-oxolan-2-yl]ethenylsulfonyl]-1,3-dihydroisoindole
CID 66970739
4-(3-fluorophenyl)-1-[(3S)-oxolan-3-yl]sulfonylpiperidine
CID 69730306
5-Fluoro-2-[2-(oxolan-2-yl)ethenylsulfonyl]-1,3-dihydroisoindole
CID 76644377
5-fluoro-2-[(E)-3-[(2R)-oxolan-2-yl]prop-2-enyl]sulfonyl-1,3-dihydroisoindole
CID 143448060
3-(3-Fluorophenyl)-1-propylsulfonylpyrrolidine
CID 53588924
N-[(4-fluorophenyl)methyl]-1-(oxan-2-yl)-N-pentylmethanesulfonamide
CID 56373560
N-[(2,6-difluorophenyl)methyl]-N-ethyl-2-(oxolan-2-yl)ethanesulfonamide
CID 71851180
N-[2-(2-fluorophenyl)ethyl]-2-(oxolan-2-yl)ethanesulfonamide
CID 71854444
N-[2-(3,4-difluorophenyl)propyl]-2-(oxolan-2-yl)ethanesulfonamide
CID 71969806

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-fluorophenyl)-1-[2-[(2S)-oxolan-2-yl]ethylsulfonyl]pyrrolidine?
The IUPAC name of (3S)-3-(4-fluorophenyl)-1-[2-[(2S)-oxolan-2-yl]ethylsulfonyl]pyrrolidine (CID 97226472) is (3S)-3-(4-fluorophenyl)-1-[2-[(2S)-oxolan-2-yl]ethylsulfonyl]pyrrolidine.
What is the SMILES notation for (3S)-3-(4-fluorophenyl)-1-[2-[(2S)-oxolan-2-yl]ethylsulfonyl]pyrrolidine?
The canonical SMILES for (3S)-3-(4-fluorophenyl)-1-[2-[(2S)-oxolan-2-yl]ethylsulfonyl]pyrrolidine is O=S(=O)(CC[C@@H]1CCCO1)N1CC[C@@H](c2ccc(F)cc2)C1.
What is the InChIKey of (3S)-3-(4-fluorophenyl)-1-[2-[(2S)-oxolan-2-yl]ethylsulfonyl]pyrrolidine?
The InChIKey is VEZKTSOUVKNLEL-ZBFHGGJFSA-N. The full InChI is InChI=1S/C16H22FNO3S/c17-15-5-3-13(4-6-15)14-7-9-18(12-14)22(19,20)11-8-16-2-1-10-21-16/h3-6,14,16H,1-2,7-12H2/t14-,16+/m1/s1.
What are the key properties of (3S)-3-(4-fluorophenyl)-1-[2-[(2S)-oxolan-2-yl]ethylsulfonyl]pyrrolidine?
(3S)-3-(4-fluorophenyl)-1-[2-[(2S)-oxolan-2-yl]ethylsulfonyl]pyrrolidine has a molecular weight of 327.42 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-fluorophenyl)-1-[2-[(2S)-oxolan-2-yl]ethylsulfonyl]pyrrolidine is sourced from PubChem (CID 97226472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).