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
    3.9302    0.3013    0.5318 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3951   -0.6865   -0.1240 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9762   -0.8837   -0.3161 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5253   -1.8763   -0.9710 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0527    0.0424    0.2324 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3930   -0.1415    0.0474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0618    1.0163    0.7580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8247    0.9568    0.6373 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.3785   -0.2717    1.2857 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3901    2.1856    1.3032 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2492    1.0119   -0.9871 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8112   -1.4599    0.6689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7585   -0.1736   -1.4196 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3426    1.0650    0.9921 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0188    0.3750    0.6295 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0722   -1.4367   -0.5716 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4092    0.8527    0.7667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6628    1.9595    0.3400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7332    0.9510    1.8274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1622    1.9370   -1.3414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4850   -1.9873   -0.0071 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1146   -2.0585    0.8706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3039   -1.2721    1.6452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0280    0.8820   -1.6862 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0444   -0.4750   -2.0877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6391   -0.8138   -1.6168 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