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
    3.5489    0.8532    0.2184 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2608   -0.4175    0.2763 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8824   -0.8637    0.2895 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6024   -2.1146    0.3465 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7479   -0.0158    0.2436 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6007   -0.4757    0.2575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6400    0.5716    0.2040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6219    1.6114   -1.2040 S   0  0  0  0  0  6  0  0  0  0  0  0
   -0.3531    2.3331   -1.4158 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9085    0.7963   -2.4465 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8709    2.7298   -1.0818 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9022   -1.3373    1.4917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8003   -1.3954   -0.9439 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8077    1.6579    0.1767 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6067    1.1724    0.2093 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0614   -1.1291    0.3140 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9301    1.0025    0.1970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5849    1.2206    1.1270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6357    0.0828    0.2610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8442    3.1003   -0.1834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5003   -2.3524    1.3802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0254   -1.4449    1.4917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6447   -0.8286    2.4228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1445   -0.9838   -1.7508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4967   -2.4140   -0.6326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8742   -1.3592   -1.2487 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