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
    3.9195    0.5764   -0.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4322   -0.3751    0.7368 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0158   -0.6524    0.8431 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6359   -1.6099    1.5967 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0452    0.1061    0.1372 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3685   -0.1927    0.2618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1447    0.7833   -0.6106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8829    0.5043   -0.5302 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.1854   -0.8327   -1.1455 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4547    0.6592    0.8256 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6106    1.6579   -1.5439 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6766   -1.5781   -0.2906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7544   -0.0922    1.7001 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9869    0.7447   -0.0493 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2758    1.2087   -0.5769 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1344   -0.9926    1.3040 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3076    0.8943   -0.4878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9130    1.8423   -0.3391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8387    0.6677   -1.6704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0648    2.4738   -1.4939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8467   -1.4882   -1.3651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6110   -1.9195    0.1940 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1038   -2.3145   -0.0203 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1561    0.0459    2.3127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3468    0.8580    1.8288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3143   -0.9748    2.0634 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