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
    3.8499    1.3932   -0.7295 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6580    1.3869   -0.1960 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7355    0.3135   -0.4458 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1219   -0.6154   -1.1962 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4336    0.2817    0.1216 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5068   -0.7926   -0.1207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7986   -0.5859    0.5825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6784    0.8599    0.1528 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.1871    0.8308   -1.2705 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9297    0.9280    1.0204 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8309    2.2759    0.4550 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6194   -0.9827   -1.5958 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1201   -2.0658    0.4659 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5811    2.1929   -0.5632 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2136    0.6000   -1.3856 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3518    2.1891    0.4397 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1221    1.0543    0.7439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4912   -1.4470    0.4801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5960   -0.5296    1.6909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4658    3.0216    0.3020 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1719   -1.6902   -1.9239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5799   -1.4259   -1.9186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000   -0.0290   -2.1461 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6174   -2.6570   -0.3245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6808   -2.7109    0.8833 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875   -1.7956    1.2982 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