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
    3.9600    1.1469    0.5147 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6619    1.1734    0.7589 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7932    0.1833    0.1390 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2730   -0.6763   -0.6117 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3910    0.1800    0.3780 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5322   -0.7431   -0.1804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9250   -0.4193    0.2973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5100    1.1728   -0.1320 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.8947    1.3047    0.4953 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7336    1.3311   -1.6140 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6048    2.4357    0.4563 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4772   -0.7787   -1.6984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2712   -2.1864    0.2597 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5924    1.8852    0.9796 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3910    0.4014   -0.1390 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2336    1.9153    1.4093 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0485    0.9237    1.0199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8804   -0.4494    1.4269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6343   -1.2068    0.0238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    2.6027    1.4208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5313    0.2045   -2.1597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2842   -1.4817   -2.0383 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4728   -1.2588   -1.9842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2818   -2.2880    1.3584 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6207   -2.6035   -0.2271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1441   -2.7687   -0.1531 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