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
    4.2418    0.0846   -0.4515 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0260    0.5861   -0.3488 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8617   -0.2393   -0.0390 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0119   -1.4728    0.1379 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5748    0.3340    0.0630 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6213   -0.4235    0.3664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8263    0.4471    0.4048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2135    1.3005   -1.0586 S   0  0  0  0  0  6  0  0  0  0  0  0
   -2.5164    0.4311   -2.2264 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1566    2.2750   -1.4267 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6186    2.2140   -0.7588 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7121   -1.5413   -0.6384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4880   -1.0876    1.7427 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4023   -0.9717   -0.3048 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0854    0.6981   -0.6785 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8878    1.6618   -0.5020 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5141    1.3638   -0.0928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7110   -0.1174    0.7933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6331    1.2234    1.2029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5475    2.6115    0.1430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7504   -1.9370   -0.7350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2889   -1.2447   -1.6146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1011   -2.3845   -0.2558 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0004   -2.0843    1.6565 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0718   -0.4476    2.4491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4929   -1.2791    2.1721 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