Monomers

2-Acrylamido-2-methyl-1-propanesulfonic acid

Identifiers

IUPAC name
2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid
InchI
InChI=1S/C7H13NO4S/c1-4-6(9)8-7(2,3)5-13(10,11)12/h4H,1,5H2,2-3H3,(H,8,9)(H,10,11,12)
InchI Key
XHZPRMZZQOIPDS-UHFFFAOYSA-N
SMILES
C=CC(=O)NC(CS(=O)(=O)O)(C)C
Canonical SMILES
CC(C)(CS(=O)(=O)O)NC(=O)C=C
Isomeric SMILES
CC(C)(CS(=O)(=O)O)NC(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H13NO4S
Heavy Atom Count
13
Molecular Weight
207.251
Exact Molecular Weight
207.0565
Valence Electrons
76
Radical Electrons
0
tPSA
83.47
MolLogP
-0.045
H Bond Acceptors
3
H Bond Donors
2
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 26 25  0  0  0  0  0  0  0  0999 V2000
    3.3967    1.2718    0.2559 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6665    1.1411   -0.8226 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3803    0.4695   -0.8581 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7348    0.3885   -1.9556 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8045   -0.1048    0.2801 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4413   -0.7595    0.4098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6930    0.0157    0.4527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1443    1.0799   -0.8328 S   0  0  0  0  0  6  0  0  0  0  0  0
   -2.3414    0.3849   -2.1547 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4974    1.6854   -0.4573 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1149    2.3724   -1.0551 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6358   -1.8182   -0.6898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3882   -1.6284    1.6959 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3714    1.7927    0.2320 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1100    0.8931    1.2163 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0945    1.5819   -1.7287 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3811   -0.0389    1.1791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6269    0.6662    1.3921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5249   -0.7326    0.6315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1400    3.0219   -0.3104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8588   -1.3540   -1.6626 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2026   -2.5363   -0.7085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5398   -2.3892   -0.3894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4694   -0.9167    2.5380 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5481   -2.1938    1.7016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2748   -2.2925    1.6402 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  2  0
  8 11  1  0
  6 12  1  0
  6 13  1  0
  1 14  1  0
  1 15  1  0
  2 16  1  0
  5 17  1  0
  7 18  1  0
  7 19  1  0
 11 20  1  0
 12 21  1  0
 12 22  1  0
 12 23  1  0
 13 24  1  0
 13 25  1  0
 13 26  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers