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
    3.9128    0.9560   -0.3617 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8945    0.6343    0.4044 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6992    0.0733   -0.2040 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6294   -0.1071   -1.4531 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5536   -0.3019    0.5480 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6240   -0.8562   -0.0645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2522    0.0797   -1.0763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7216    1.5864   -0.3016 S   0  0  0  0  0  6  0  0  0  0  0  0
   -2.6450    1.3462    0.8455 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5139    2.3120    0.2309 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4164    2.6005   -1.4608 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6660   -1.1306    0.9897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2816   -2.1806   -0.7129 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8456    0.7991   -1.4258 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8165    1.3727    0.0372 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9577    0.7877    1.4530 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6020   -0.1566    1.5798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6402    0.2595   -1.9548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2012   -0.4293   -1.4072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5503    3.4890   -1.0123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5763   -0.4650    1.8716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7029   -0.9965    0.6113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6205   -2.1989    1.3475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1146   -2.9095   -0.6297 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6059   -2.5783   -0.1772 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0096   -1.9856   -1.7618 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