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Details

Stereochemistry RACEMIC
Molecular Formula C11H15NO3S
Molecular Weight 241.307
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Pyrrolidin-3-yl 4-methylbenzene-1-sulfonate

SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CCNC2

InChI

InChIKey=OFXGEDZSEKJBCH-UHFFFAOYSA-N
InChI=1S/C11H15NO3S/c1-9-2-4-11(5-3-9)16(13,14)15-10-6-7-12-8-10/h2-5,10,12H,6-8H2,1H3

HIDE SMILES / InChI

Molecular Formula C11H15NO3S
Molecular Weight 241.307
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:21:33 GMT 2025
Edited
by admin
on Wed Apr 02 19:21:33 GMT 2025
Record UNII
Q2LG6FW55K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-Pyrrolidinol, 3-(4-methylbenzenesulfonate)
Preferred Name English
Pyrrolidin-3-yl 4-methylbenzene-1-sulfonate
Systematic Name English
Pyrrolidin-3-yl 4-methylbenzene-1-sulfonate, (3RS)-
Systematic Name English
Pyrrolidin-3-yl 4-methylbenzenesulfonate
Systematic Name English
3-Pyrrolidinol, 4-methylbenzenesulfonate (ester)
Systematic Name English
Code System Code Type Description
FDA UNII
Q2LG6FW55K
Created by admin on Wed Apr 02 19:21:33 GMT 2025 , Edited by admin on Wed Apr 02 19:21:33 GMT 2025
PRIMARY
CAS
748738-54-7
Created by admin on Wed Apr 02 19:21:33 GMT 2025 , Edited by admin on Wed Apr 02 19:21:33 GMT 2025
PRIMARY
PUBCHEM
19596758
Created by admin on Wed Apr 02 19:21:33 GMT 2025 , Edited by admin on Wed Apr 02 19:21:33 GMT 2025
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE