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
    4.3847    0.0031   -0.0583 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2727   -0.6069   -0.4606 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9536   -0.1783   -0.0359 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7716    0.8013    0.7431 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8173   -0.8690   -0.4997 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5204   -0.4766   -0.1040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8649    0.9231   -0.5170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4792    1.4264   -0.0519 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.5514    0.6100   -0.7139 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6667    1.4688    1.4361 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6923    3.0174   -0.5950 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5593   -1.4282   -0.6567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5699   -0.6458    1.4183 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3655    0.8574    0.6117 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3587   -0.3289   -0.3840 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3786   -1.4454   -1.1240 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8944   -1.7056   -1.1585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1574    1.6967   -0.1831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8240    0.9370   -1.6353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2172    3.0652   -1.4117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4759   -1.4354   -0.0194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7824   -1.0965   -1.6941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1624   -2.4773   -0.6271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2180    0.2889    1.8804 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1244   -1.4491    1.7413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5803   -0.9525    1.7488 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