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
    3.2662    1.2983    0.5113 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1002    0.0571    0.1180 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8148   -0.5414   -0.2101 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7674   -1.7702   -0.5861 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5980    0.2108   -0.1231 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6098   -0.4665   -0.4661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    0.3604   -0.3589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1521    0.9861    1.2544 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.3859    1.8483    1.1923 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4326   -0.1169    2.2234 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8954    1.9635    1.7842 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5048   -0.9533   -1.9048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7514   -1.6768    0.4453 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4473    1.9736    0.6209 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2546    1.6587    0.7335 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9659   -0.6225    0.0125 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6577    1.1997    0.1820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7088   -0.2972   -0.6317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8646    1.1908   -1.0931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8738    2.7716    1.2081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4971   -0.9343   -2.4190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1427   -1.9818   -1.9622 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1281   -0.2315   -2.4931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3762   -2.5710   -0.1094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8265   -1.8039    0.7222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1328   -1.5516    1.3494 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