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
    3.9670    0.7043    0.1126 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9826    0.1562   -0.5505 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6851    0.0062    0.0728 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250    0.4075    1.2480 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694   -0.5808   -0.5895 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7048   -0.7223    0.0338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3147    0.6186    0.4433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5282    1.6470   -0.9880 S   0  0  0  0  0  6  0  0  0  0  0  0
   -0.1700    1.9212   -1.5583 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4190    0.9815   -1.9986 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2039    3.1054   -0.4574 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5990   -1.6394    1.2285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6590   -1.4050   -0.9454 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8806    1.0671    1.1296 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9257    0.8135   -0.3520 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1214   -0.1860   -1.5546 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7512   -0.9051   -1.5771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6607    1.1740    1.1389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2672    0.4557    0.9836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5663    3.0189    0.4475 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0923   -1.2837    1.9904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1884   -2.6079    0.8381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5938   -1.8544    1.6719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4374   -1.1398   -1.9845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7136   -1.2363   -0.6647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4743   -2.5162   -0.8684 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