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

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
    4.0796    0.6626   -0.4523 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8473    0.8230   -0.8920 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7847    0.0598   -0.2564 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0436   -0.7455    0.7045 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4280    0.1264   -0.6167 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6240   -0.6377    0.0223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9701   -0.3718   -0.5587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4950    1.2997   -0.4457 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.8703    1.3804   -1.0943 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6971    1.6847    0.9922 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5178    2.3834   -1.2064 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000   -2.1107   -0.2710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5936   -0.4998    1.5266 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3238   -0.0133    0.3599 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9170    1.2121   -0.8947 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6347    1.4889   -1.6862 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1525    0.7640   -1.3930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9861   -0.7504   -1.5951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7052   -0.9898    0.0122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9803    3.1343   -1.6435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1937   -2.7325   -0.2993 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1991   -2.2084   -1.2668 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4114   -2.5174    0.4659 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1170   -1.2214    1.9379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6096   -0.7560    1.8905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3960    0.5355    1.8539 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