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
    4.4034    0.3602   -0.3263 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3774   -0.2891    0.1183 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0077    0.0528   -0.2698 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8378    1.0036   -1.0556 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8949   -0.6749    0.2314 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4577   -0.3880   -0.1105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8854    1.0109    0.2726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5672    1.2818   -0.1847 S   0  0  0  0  0  6  0  0  0  0  0  0
   -2.7403    1.2157   -1.6625 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9707    2.6748    0.2473 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6188    0.2229    0.5539 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5815   -0.5213   -1.6294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3840   -1.3760    0.5544 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2849    1.1837   -1.0045 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3999    0.0947   -0.0304 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5169   -1.1315    0.8136 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1073   -1.4577    0.8844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7131    1.1922    1.3328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2742    1.7552   -0.2890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0152    0.5636    1.3888 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1343   -1.2700   -2.0283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5960   -0.9336   -1.8308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4095    0.4592   -2.0915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1070   -1.7502   -0.1925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958   -2.2867    0.8720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8483   -0.9925    1.4767 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