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
    4.0302    1.5168   -0.5732 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3082    0.4547   -0.2416 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8581    0.4882   -0.3430 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3090    1.5421   -0.7503 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0735   -0.6366    0.0070 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3714   -0.6537   -0.0751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9173    0.4048    0.8206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6908    0.4748    0.7997 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.2488   -0.8324    1.3463 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2237    0.7232   -0.5695 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2370    1.6846    1.8269 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8433   -0.5186   -1.5056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8496   -2.0028    0.4149 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5758    2.4314   -0.9253 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0866    1.4582   -0.4872 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7775   -0.4523    0.1087 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6095   -1.4927    0.3424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5493    1.4120    0.6398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6170    0.1365    1.8672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4487    2.5161    1.3330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1991    0.4939   -1.7429 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0013   -0.8174   -2.1867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6737   -1.2219   -1.7221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7479   -2.0803    1.5235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -2.7821    0.0082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8662   -2.2467    0.0844 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