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
    3.7250    2.2774   -0.5233 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1522    1.1098   -0.6487 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7491    0.8753   -0.2477 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0820    1.8012    0.2225 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1480   -0.4060   -0.3943 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2135   -0.6945   -0.0217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1976    0.1585   -0.7864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8666   -0.1684   -0.3556 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.2613   -1.5951   -0.7025 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1740    0.0318    1.0779 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8871    0.8215   -1.2510 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4961   -2.1363   -0.3868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4426   -0.5376    1.4787 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1749    3.1009   -0.1193 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7396    2.4144   -0.8220 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7153    0.2842   -1.0575 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917   -1.1462   -0.8068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0100    1.2330   -0.6605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0679   -0.0947   -1.8609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6988    1.7844   -1.0355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3326   -2.5710    0.1913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7743   -2.2356   -1.4653 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4390   -2.7528   -0.2615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9219   -1.4593    1.9009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9597    0.3802    1.7410 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5871   -0.4748    1.9281 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