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
    4.1896    0.7403   -0.9095 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1204    0.0320   -1.2152 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9348    0.1228   -0.3670 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    0.8524    0.6287 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7570   -0.6207   -0.6540 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4533   -0.5956    0.1167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9925    0.8100    0.1147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4942    0.9757    1.0352 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.6057    0.1605    0.4616 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2502    0.6725    2.4826 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9692    2.5864    0.9414 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2827   -1.1503    1.5039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4863   -1.4590   -0.5736 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0869    0.7017   -1.5106 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2326    1.3985   -0.0439 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1515   -0.5991   -2.0894 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7895   -1.2381   -1.5068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2807    1.5376    0.5507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2057    1.1537   -0.9180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0010    2.9141    0.0128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2482   -1.5478    1.8345 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0311   -0.3892    2.2412 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4142   -2.0129    1.4385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2223   -0.8469   -1.1498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0991   -2.0398    0.1627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0397   -2.1591   -1.3070 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