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
    3.7500    1.4481   -0.1137 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8854    0.6516    0.4848 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6482    0.3151   -0.1981 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4012    0.7728   -1.3407 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6660   -0.5358    0.3784 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5452   -0.8660   -0.2887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4119    0.3170   -0.6220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8971    1.2137    0.8330 S   0  0  0  0  0  6  0  0  0  0  0  0
   -2.7098    0.3409    1.7465 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6779    1.6458    1.6015 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8614    2.5242    0.4210 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2879   -1.5919   -1.6149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3320   -1.8375    0.5643 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5536    1.8498   -1.0944 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6803    1.7186    0.3664 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0543    0.2350    1.4646 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8626   -0.9194    1.3251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9257    1.0021   -1.3339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3354   -0.0707   -1.1000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3181    3.2532   -0.0194 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6134   -2.1899   -1.4833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1869   -2.1853   -1.8621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1972   -0.8118   -2.3881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2679   -1.4932    1.6030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3787   -1.9662    0.2011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7819   -2.8202    0.4926 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