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
    4.2916    0.4328    0.0939 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2594   -0.0728   -0.5550 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9223   -0.0020    0.0125 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7869    0.5523    1.1312 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7791   -0.5215   -0.6277 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5689   -0.4749   -0.1066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0135    0.9542    0.0915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6687    1.0451    0.7295 S   0  0  0  0  0  6  0  0  0  0  0  0
   -2.7657    0.3393    2.0472 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6601    0.4806   -0.2666 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0451    2.6739    0.9052 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5042   -1.2528   -0.9865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5205   -1.2182    1.2329 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1989    0.9140    1.0572 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2850    0.3788   -0.3304 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3948   -0.5445   -1.5135 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9326   -0.9780   -1.5609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9812    1.5374   -0.8420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3518    1.4052    0.8559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2009    3.1462    1.1544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0365   -0.6252   -1.7266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9033   -1.9925   -1.5916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2377   -1.8213   -0.3684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5007   -1.6428    1.4800 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1659   -2.0976    1.0706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0579   -0.6155    2.0166 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