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
    3.9012    1.2787    0.8610 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7241    1.3823    0.2904 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7775    0.2856    0.3031 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0576   -0.8048    0.8648 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4847    0.3990   -0.3234 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4368   -0.6914   -0.3018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6976   -0.2789   -1.0295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5041    1.1094   -0.3193 S   0  0  0  0  0  6  0  0  0  0  0  0
   -1.7527    2.3791   -0.4323 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8069    1.2937   -1.0860 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9229    0.7368    1.2556 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7765   -1.1427    1.1017 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1013   -1.9087   -1.0597 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6297    2.0774    0.8693 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1673    0.3493    1.3520 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4350    2.2933   -0.2036 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2890    1.3161   -0.7791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3829   -0.0930   -2.0937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3858   -1.1339   -1.0730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9155    1.5032    1.8557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0525   -1.8891    1.4526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7716   -1.6351    1.0415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7612   -0.2869    1.8057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7640   -2.5260   -1.4109 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5873   -1.4983   -1.9709 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7762   -2.5151   -0.4384 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