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
    4.4766   -0.0074   -0.2683 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3336    0.6065   -0.4392 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0986   -0.1196   -0.2446 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0769   -1.3504    0.0913 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417    0.5295   -0.4254 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -0.1691   -0.2393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5141    0.8363   -0.5066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1352    0.2125   -0.3368 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.4602   -0.2496    1.0434 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3904   -0.8238   -1.3789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2002    1.4955   -0.6770 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5480   -0.5572    1.2311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4476   -1.3544   -1.1261 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4900   -1.0387    0.0131 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4249    0.5082   -0.4063 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3035    1.6345   -0.7198 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8890    1.5360   -0.6993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4153    1.7309    0.1420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4272    1.2331   -1.5582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0000    2.2760   -0.1032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8004    0.3944    1.7631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3340   -1.3220    1.3734 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4024   -0.9025    1.6592 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5393   -1.4938   -1.6514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1883   -1.3241   -1.9441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5948   -2.2806   -0.5319 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