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
    3.5108    2.0815    0.4009 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7145    1.3879   -0.3870 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6289    0.6370    0.2167 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4405    0.6388    1.4600 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7105   -0.1460   -0.5468 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3651   -0.8865    0.0797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3178   -0.0130    0.8414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1046    1.2003   -0.1670 S   0  0  0  0  0  6  0  0  0  0  0  0
   -1.1108    2.1929   -0.7069 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0574    1.9716    0.7087 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9916    0.5209   -1.3986 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1930   -1.9016    1.0854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0832   -1.6960   -0.9749 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3742    2.1045    1.4897 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3348    2.6597    0.0146 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8964    1.4032   -1.4408 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8539   -0.1576   -1.5797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1334   -0.6977    1.2117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8692    0.4308    1.7246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9635    0.6079   -1.2878 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4913   -1.4235    2.0201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5874   -2.6870    1.2220 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0419   -2.3988    0.5685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3286   -2.4516   -1.3428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3635   -1.0961   -1.8574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9147   -2.2818   -0.5714 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