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
    4.3386    0.1500    0.5221 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3276   -0.1847   -0.2491 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9366   -0.1285    0.1745 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6964    0.2631    1.3449 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8579   -0.4911   -0.6638 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5368   -0.4478   -0.2817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9133    0.9479    0.0686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5993    1.1375    0.5535 S   0  0  0  0  0  6  0  0  0  0  0  0
   -2.8248    0.4022    1.8457 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5717    0.7096   -0.4677 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8215    2.7866    0.9079 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8374   -1.4420    0.8176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3691   -0.9055   -1.4881 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0767    0.4856    1.5358 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3542    0.1017    0.1921 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5227   -0.5210   -1.2520 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1451   -0.8118   -1.6354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7356    1.5759   -0.8420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2942    1.3488    0.8775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3667    3.3583    0.2414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3540   -1.1845    1.7748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4696   -2.4309    0.4508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9395   -1.5377    0.8861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5353   -0.0820   -2.1794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7740   -1.7015   -1.9964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3130   -1.3982   -1.1375 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