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Details

Stereochemistry ABSOLUTE
Molecular Formula C11H15NO3S
Molecular Weight 241.307
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Pyrrolidin-3-yl 4-methylbenzene-1-sulfonate, (3S)-

SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@H]2CCNC2

InChI

InChIKey=OFXGEDZSEKJBCH-JTQLQIEISA-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/t10-/m0/s1

HIDE SMILES / InChI

Molecular Formula C11H15NO3S
Molecular Weight 241.307
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 20:58:42 GMT 2025
Edited
by admin
on Wed Apr 02 20:58:42 GMT 2025
Record UNII
2C44K7HR9U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(3S)-Pyrrolidin-3-yl 4-methylbenzene-1-sulfonate
Preferred Name English
Pyrrolidin-3-yl 4-methylbenzene-1-sulfonate, (3S)-
Systematic Name English
3-Pyrrolidinol, 4-methylbenzenesulfonate (ester), (S)-
Systematic Name English
(S)-Toluene-4-sulfonic acid pyrrolidin-3-yl ester
Systematic Name English
Code System Code Type Description
CAS
99520-84-0
Created by admin on Wed Apr 02 20:58:42 GMT 2025 , Edited by admin on Wed Apr 02 20:58:42 GMT 2025
PRIMARY
PUBCHEM
54148258
Created by admin on Wed Apr 02 20:58:42 GMT 2025 , Edited by admin on Wed Apr 02 20:58:42 GMT 2025
PRIMARY
FDA UNII
2C44K7HR9U
Created by admin on Wed Apr 02 20:58:42 GMT 2025 , Edited by admin on Wed Apr 02 20:58:42 GMT 2025
PRIMARY
Related Record Type Details
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