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
    3.8857   -0.4371    0.5748 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0223   -1.4056    0.3383 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6209   -1.1936    0.0268 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8543   -2.1741   -0.1880 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1153    0.1140   -0.0356 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2670    0.4052   -0.3359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1545   -0.1906    0.7064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8764    0.0990    0.4538 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.2434    1.5428    0.4967 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3841   -0.5624   -0.8008 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6909   -0.6554    1.7373 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6468   -0.1760   -1.7101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4236    1.8917   -0.4821 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9242   -0.7267    0.8002 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6708    0.6020    0.5679 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542   -2.4497    0.3718 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7512    0.9445    0.1417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9021    0.2172    1.7061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0321   -1.2862    0.7641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2078   -0.5310    2.5930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8323   -1.2526   -1.6540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5519    0.3595   -2.0348 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2367    0.0501   -2.3606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1783    2.4112    0.4576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3978    2.1801   -0.9120 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3535    2.2239   -1.2226 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