(3R,5S)-1-ethylsulfonyl-5-(3-methoxyphenyl)pyrrolidin-3-ol

C13H19NO4S — CID 129481403

IUPAC(3R,5S)-1-ethylsulfonyl-5-(3-methoxyphenyl)pyrrolidin-3-ol
SMILESCCS(=O)(=O)N1C[C@H](O)C[C@H]1c1cccc(OC)c1
InChIInChI=1S/C13H19NO4S/c1-3-19(16,17)14-9-11(15)8-13(14)10-5-4-6-12(7-10)18-2/h4-7,11,13,15H,3,8-9H2,1-2H3/t11-,13+/m1/s1
InChIKeyVEJPEGOAQDRGRP-YPMHNXCESA-N
MW285.37 g/mol
LogP1.15
Rot. Bonds4

About (3R,5S)-1-ethylsulfonyl-5-(3-methoxyphenyl)pyrrolidin-3-ol

(3R,5S)-1-ethylsulfonyl-5-(3-methoxyphenyl)pyrrolidin-3-ol (PubChem CID 129481403) has the molecular formula C13H19NO4S and a molecular weight of 285.37 g/mol. Its IUPAC name is (3R,5S)-1-ethylsulfonyl-5-(3-methoxyphenyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5S)-1-ethylsulfonyl-5-(3-methoxyphenyl)pyrrolidin-3-ol
PubChem CID129481403
Molecular FormulaC13H19NO4S
Molecular Weight285.37 g/mol
Exact Mass285.10
IUPAC Name(3R,5S)-1-ethylsulfonyl-5-(3-methoxyphenyl)pyrrolidin-3-ol
SMILESCCS(=O)(=O)N1C[C@H](O)C[C@H]1c1cccc(OC)c1
InChIInChI=1S/C13H19NO4S/c1-3-19(16,17)14-9-11(15)8-13(14)10-5-4-6-12(7-10)18-2/h4-7,11,13,15H,3,8-9H2,1-2H3/t11-,13+/m1/s1
InChIKeyVEJPEGOAQDRGRP-YPMHNXCESA-N
XLogP1.15
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R,5S)-1-ethylsulfonyl-5-(3-methoxyphenyl)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

(3S,5R)-1-(cyclopropylmethylsulfonyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129481215
5-(3-fluorophenyl)-1-(2-methoxyethylsulfonyl)pyrrolidin-3-ol
CID 128964231
(3R,5S)-1-(2-ethoxyethyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129481356
(3R,5R)-1-(2-methoxyethylsulfonyl)-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 99703425
3,3-difluoro-1-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]butan-1-one
CID 129350070
1-(azetidin-1-yl)-2-[4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 128965750
1-[4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone
CID 154739384
(3R,5S)-1-[[4-(hydroxymethyl)phenyl]methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 100737617
N-ethyl-3-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-methylpropanamide
CID 129480913
(3R,5S)-5-(3-methoxyphenyl)-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-ol
CID 100736446
2-[(2R,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone
CID 100736817
N-cyclopropyl-2-[(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 129481337

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1-ethylsulfonyl-5-(3-methoxyphenyl)pyrrolidin-3-ol?
The IUPAC name of (3R,5S)-1-ethylsulfonyl-5-(3-methoxyphenyl)pyrrolidin-3-ol (CID 129481403) is (3R,5S)-1-ethylsulfonyl-5-(3-methoxyphenyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,5S)-1-ethylsulfonyl-5-(3-methoxyphenyl)pyrrolidin-3-ol?
The canonical SMILES for (3R,5S)-1-ethylsulfonyl-5-(3-methoxyphenyl)pyrrolidin-3-ol is CCS(=O)(=O)N1C[C@H](O)C[C@H]1c1cccc(OC)c1.
What is the InChIKey of (3R,5S)-1-ethylsulfonyl-5-(3-methoxyphenyl)pyrrolidin-3-ol?
The InChIKey is VEJPEGOAQDRGRP-YPMHNXCESA-N. The full InChI is InChI=1S/C13H19NO4S/c1-3-19(16,17)14-9-11(15)8-13(14)10-5-4-6-12(7-10)18-2/h4-7,11,13,15H,3,8-9H2,1-2H3/t11-,13+/m1/s1.
What are the key properties of (3R,5S)-1-ethylsulfonyl-5-(3-methoxyphenyl)pyrrolidin-3-ol?
(3R,5S)-1-ethylsulfonyl-5-(3-methoxyphenyl)pyrrolidin-3-ol has a molecular weight of 285.37 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-1-ethylsulfonyl-5-(3-methoxyphenyl)pyrrolidin-3-ol is sourced from PubChem (CID 129481403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).