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
    3.4810    1.6165    0.8109 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8566    0.6082    0.2278 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4254    0.4003    0.4015 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8083    1.2109    1.1229 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7360   -0.6751   -0.2151 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6666   -0.9465   -0.1249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6258   -0.1197   -0.8212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8291    1.5643   -0.6363 S   0  0  0  0  0  6  0  0  0  0  0  0
   -2.2186    2.0226    0.7395 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9676    2.0724   -1.5284 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5141    2.5048   -1.0947 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8330   -2.3932   -0.6688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9499   -1.1552    1.3618 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9536    2.3332    1.4446 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411    1.7709    0.6825 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4613   -0.0642   -0.3916 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3971   -1.2963   -0.7849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4284   -0.2974   -1.9444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6742   -0.5950   -0.7607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4930    3.3711   -0.6314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1818   -3.0314   -0.0284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4913   -2.4233   -1.7072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8803   -2.7063   -0.5481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8966   -0.2294    1.9285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8793   -1.7231    1.4489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1310   -1.8188    1.7173 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