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
    4.4140   -0.0054    0.7934 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3517    0.6523    0.3905 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0455   -0.0431    0.3824 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9362   -1.2321    0.7481 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8651    0.6050   -0.0384 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4022   -0.0927   -0.0402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4635    0.8443   -0.5191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0768    0.2209   -0.6113 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.1655   -0.8881   -1.6537 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6703   -0.2996    0.6297 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1455    1.4226   -1.1781 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5937   -0.6385    1.3284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3941   -1.2776   -1.0061 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3674    0.4974    0.8009 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3557   -1.0228    1.1127 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3625    1.6613    0.0655 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8798    1.5932   -0.3551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4753    1.7639    0.1332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1733    1.2269   -1.5211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7527    2.2979   -0.9109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6466   -0.6661    1.6888 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0786   -0.1461    2.0769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2678   -1.6998    1.3272 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4712   -1.9266   -0.9088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2875   -1.8959   -0.6941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6131   -0.9514   -2.0409 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