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
    4.4131   -0.2380    0.4392 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4148    0.2756   -0.2381 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0475    0.0281    0.1664 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8248   -0.6901    1.1819 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9389    0.5840   -0.5656 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3859    0.2704   -0.0713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4026    0.9376   -0.9532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0593    0.6345   -0.4580 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.3907    1.2053    0.8800 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9636    1.3301   -1.4607 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4755   -0.9746   -0.4591 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5632   -1.2085   -0.1281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4784    0.8298    1.3289 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2421   -0.8629    1.3219 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4460   -0.0793    0.1733 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6184    0.8823   -1.0967 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1610    1.1592   -1.3802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2759    0.5332   -1.9790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2503    2.0224   -1.0189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4498   -1.0308   -0.2981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0207   -1.6395    0.7821 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3805   -1.7765   -0.2926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2463   -1.4575   -0.9654 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5045    1.1603    1.7266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1263    1.7220    1.3193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9032    0.1050    2.0455 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