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
   -3.9895    0.2549   -0.0612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1775    0.9480    0.6894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7466    0.7138    0.7245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0831    1.4768    1.5117 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0844   -0.2785   -0.0412 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3480   -0.4829    0.0157 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0396    0.7556   -0.4391 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8268    0.5704   -0.3985 S   0  0  0  0  0  6  0  0  0  0  0  0
    3.2566   -0.5798   -1.2502 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2719    0.3988    1.0404 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4579    2.0337   -0.9332 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6771   -1.6850   -0.8504 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6676   -0.8336    1.4543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6280   -0.5221   -0.6873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0655    0.4288   -0.0895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6334    1.7431    1.3155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6789   -0.8753   -0.6664 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8272    1.5784    0.2542 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7938    1.0085   -1.4804 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4461    2.1081   -1.9186 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5121   -2.2534   -0.3891 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9139   -1.3937   -1.8916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1920   -2.3922   -0.8887 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6265   -1.3794    1.5287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1355   -1.4591    1.8607 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7493    0.1160    2.0212 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