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
    3.8616    1.1786    0.2680 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4911   -0.0154   -0.1476 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1057   -0.4455   -0.2321 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8882   -1.6330   -0.6533 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9932    0.3913    0.1306 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3392   -0.1568    0.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3499    0.8980    0.4290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0091    0.2852    0.2925 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.9384    1.3796    0.7396 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2614   -0.8974    1.1642 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3745   -0.1557   -1.2841 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5749   -0.4598   -1.4476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4644   -1.3572    0.8895 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9232    1.4094    0.2968 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1363    1.8980    0.5677 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2534   -0.7305   -0.4478 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2075    1.3361    0.4629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1602    1.2722    1.4546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2558    1.7393   -0.2857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8529    0.5425   -1.7840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0657   -1.4364   -1.5441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1665    0.3640   -1.9406 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3833   -0.4993   -2.0366 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5436   -1.6442    1.2493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9534   -2.2139    0.3846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0210   -1.0490    1.8107 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