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
    3.6434   -0.1232    0.2803 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9309   -0.0302   -0.8105 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4871   -0.1659   -0.8035 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8848   -0.0611   -1.9021 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6964   -0.4097    0.3575 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7282   -0.5206    0.3971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5652    0.6653    0.2493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5663    1.7399   -1.0743 S   0  0  0  0  0  6  0  0  0  0  0  0
   -2.0699    1.1614   -2.3715 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5820    2.8510   -0.7730 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1240    2.5706   -1.3006 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0543   -1.0101    1.8418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2117   -1.7177   -0.4289 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7350   -0.0055    0.1709 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2582   -0.3023    1.2604 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4166    0.1572   -1.7826 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2988   -0.5058    1.2384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3498    1.2981    1.1897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6589    0.3795    0.4743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0949    3.4384   -0.8712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0775   -1.4191    1.8764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9462   -0.1314    2.4997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2778   -1.7411    2.1247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7498   -1.7616   -1.4140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3167   -1.6779   -0.5069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9778   -2.6784    0.0784 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