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
    3.3700   -1.3028   -0.9182 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9397   -1.0970    0.2994 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7099   -0.4263    0.6318 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3789   -0.2751    1.8361 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7995    0.1014   -0.3145 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4047    0.7577    0.0321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3853   -0.0569    0.8189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9172   -1.5133   -0.0287 S   0  0  0  0  0  6  0  0  0  0  0  0
   -2.9459   -2.1924    0.8450 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7874   -2.4445   -0.3276 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6693   -1.1466   -1.4839 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0772    1.3266   -1.1984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0530    1.9693    0.9066 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7776   -0.9534   -1.7622 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3036   -1.8133   -1.1204 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5736   -1.4688    1.1206 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0423   -0.0067   -1.3215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2881    0.5795    0.9693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0107   -0.2724    1.8382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6289   -0.9447   -1.3751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5669    2.2571   -1.5275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1025    1.6627   -0.8711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2017    0.6010   -2.0043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0228    1.5900    1.9446 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9705    2.2938    0.6347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8040    2.7752    0.7824 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