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
    4.0549   -0.1624    1.3375 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7797    0.1698    1.4045 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8683   -0.0495    0.2910 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3324   -0.5676   -0.7436 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5049    0.2918    0.3277 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4295    0.0882   -0.7590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7990    0.5535   -0.4045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5532   -0.2164    0.9583 S   0  0  0  0  0  6  0  0  0  0  0  0
   -2.7548   -1.6779    0.8356 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8107    0.0408    2.2395 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1047    0.4432    1.2044 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0005    0.9167   -1.9820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3357   -1.3449   -1.1731 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4603   -0.6138    0.4366 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7498   -0.0096    2.1498 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3878    0.6173    2.3038 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1443    0.7231    1.1972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4854    0.4997   -1.2759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7172    1.6495   -0.1730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6099    0.4878    0.3552 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3136    1.9213   -1.7043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9116    1.0085   -2.6097 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7349    0.3524   -2.5921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0767   -2.0273   -0.3370 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5013   -1.4263   -1.8971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2434   -1.6682   -1.7210 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