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
    3.6123   -0.0245    1.4914 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3534   -0.7458    0.4395 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0268   -0.7728   -0.1486 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8966   -1.5118   -1.1701 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9408   -0.0279    0.3736 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3489   -0.1146   -0.2779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3048    0.7617    0.4784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9336    0.7945   -0.1572 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.6088   -0.5180   -0.2191 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9576    1.3845   -1.5538 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8546    1.8164    0.8056 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7465   -1.5663   -0.2828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1964    0.4496   -1.6644 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9141    0.6023    2.0208 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6297   -0.0155    1.9271 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1722   -1.3317    0.0138 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1093    0.5543    1.2063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9052    1.7975    0.4079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3311    0.5259    1.5598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5158    1.8890    1.7223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6868   -1.7605    0.2557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8002   -1.8727   -1.3520 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0212   -2.2256    0.1832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9281    0.0081   -2.3743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3784    1.5564   -1.6040 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8202    0.3473   -2.0811 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