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
    4.0079    1.3250    0.3894 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1783    0.7895   -0.4615 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8381    0.4158   -0.0225 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5293    0.6302    1.1882 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9139   -0.1670   -0.9196 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3954   -0.5225   -0.4789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1667    0.6518   -0.0362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7976    0.3417    0.5259 S   0  0  0  0  0  6  0  0  0  0  0  0
   -2.7840   -0.5358    1.7642 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6813   -0.3116   -0.4645 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5316    1.7824    0.9905 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0504   -1.3466   -1.5585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1914   -1.4965    0.6980 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7025    1.4884    1.4071 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9977    1.6009    0.0647 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4545    0.6146   -1.4822 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2034   -0.3295   -1.8977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6296    1.1678    0.7782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2381    1.4079   -0.8635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4150    2.4959    0.3137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8693   -1.9643   -1.1420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2792   -2.0689   -1.9129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3481   -0.7555   -2.4354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9625   -2.2793    0.6972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2748   -0.9514    1.6554 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7895   -1.9829    0.6534 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