5-(3-fluorophenyl)-1-(2-methoxyethylsulfonyl)pyrrolidin-3-ol

C13H18FNO4S — CID 128964231

IUPAC5-(3-fluorophenyl)-1-(2-methoxyethylsulfonyl)pyrrolidin-3-ol
SMILESCOCCS(=O)(=O)N1CC(O)CC1c1cccc(F)c1
InChIInChI=1S/C13H18FNO4S/c1-19-5-6-20(17,18)15-9-12(16)8-13(15)10-3-2-4-11(14)7-10/h2-4,7,12-13,16H,5-6,8-9H2,1H3
InChIKeyBTYDBSPVJCFCOW-UHFFFAOYSA-N
MW303.35 g/mol
LogP0.91
Rot. Bonds5

About 5-(3-fluorophenyl)-1-(2-methoxyethylsulfonyl)pyrrolidin-3-ol

5-(3-fluorophenyl)-1-(2-methoxyethylsulfonyl)pyrrolidin-3-ol (PubChem CID 128964231) has the molecular formula C13H18FNO4S and a molecular weight of 303.35 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-1-(2-methoxyethylsulfonyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name5-(3-fluorophenyl)-1-(2-methoxyethylsulfonyl)pyrrolidin-3-ol
PubChem CID128964231
Molecular FormulaC13H18FNO4S
Molecular Weight303.35 g/mol
Exact Mass303.09
IUPAC Name5-(3-fluorophenyl)-1-(2-methoxyethylsulfonyl)pyrrolidin-3-ol
SMILESCOCCS(=O)(=O)N1CC(O)CC1c1cccc(F)c1
InChIInChI=1S/C13H18FNO4S/c1-19-5-6-20(17,18)15-9-12(16)8-13(15)10-3-2-4-11(14)7-10/h2-4,7,12-13,16H,5-6,8-9H2,1H3
InChIKeyBTYDBSPVJCFCOW-UHFFFAOYSA-N
XLogP0.91
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(3-fluorophenyl)-1-(2-methoxyethylsulfonyl)pyrrolidin-3-ol 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

(3R,5R)-1-(2-methoxyethylsulfonyl)-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 99703425
2-(3-fluorophenyl)-1-(2-methoxyethylsulfonyl)piperazine;hydrochloride
CID 120764950
(3R,5S)-1-ethylsulfonyl-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129481403
5-(3,4-difluorophenyl)-1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-ol
CID 128963749
(3S,5R)-5-(3-fluorophenyl)-1-(furan-2-ylsulfonyl)pyrrolidin-3-ol
CID 100722173
(3S,5R)-1-(cyclopropylmethylsulfonyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129481215
2-[(2R,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]sulfonylbenzonitrile
CID 100722086
1-[2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-[3-(methoxymethyl)phenyl]ethanone
CID 128990037
5-(3-fluorophenyl)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrrolidin-3-ol
CID 128975913
1-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-phenylmethoxyethanone
CID 100720687
3-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]sulfonylbenzonitrile
CID 100722421
[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
CID 100719919

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-1-(2-methoxyethylsulfonyl)pyrrolidin-3-ol?
The IUPAC name of 5-(3-fluorophenyl)-1-(2-methoxyethylsulfonyl)pyrrolidin-3-ol (CID 128964231) is 5-(3-fluorophenyl)-1-(2-methoxyethylsulfonyl)pyrrolidin-3-ol.
What is the SMILES notation for 5-(3-fluorophenyl)-1-(2-methoxyethylsulfonyl)pyrrolidin-3-ol?
The canonical SMILES for 5-(3-fluorophenyl)-1-(2-methoxyethylsulfonyl)pyrrolidin-3-ol is COCCS(=O)(=O)N1CC(O)CC1c1cccc(F)c1.
What is the InChIKey of 5-(3-fluorophenyl)-1-(2-methoxyethylsulfonyl)pyrrolidin-3-ol?
The InChIKey is BTYDBSPVJCFCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO4S/c1-19-5-6-20(17,18)15-9-12(16)8-13(15)10-3-2-4-11(14)7-10/h2-4,7,12-13,16H,5-6,8-9H2,1H3.
What are the key properties of 5-(3-fluorophenyl)-1-(2-methoxyethylsulfonyl)pyrrolidin-3-ol?
5-(3-fluorophenyl)-1-(2-methoxyethylsulfonyl)pyrrolidin-3-ol has a molecular weight of 303.35 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-1-(2-methoxyethylsulfonyl)pyrrolidin-3-ol is sourced from PubChem (CID 128964231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).