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
    4.0278    0.1856    1.5498 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0736   -0.6127    1.1306 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8365   -0.0525    0.6115 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6810    1.1922    0.5642 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7890   -0.8948    0.1519 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4712   -0.4205   -0.3765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1886    0.3723    0.6577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7459    1.0083    0.1337 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.7498   -0.0804   -0.1181 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2990    1.8178    1.3016 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6568    2.0190   -1.1681 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1678    0.3449   -1.6385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2907   -1.6307   -0.7871 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9518   -0.2285    1.9375 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8780    1.2467    1.5020 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2179   -1.6765    1.1760 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9963   -1.9367    0.2230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5758    1.1905    1.0822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3938   -0.3180    1.5158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3313    2.9266   -0.8971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0035    0.3089   -2.3601 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6847   -0.1771   -2.1287 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1859    1.3774   -1.4443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6882   -2.5811   -0.6879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1544   -1.7884   -0.0864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6058   -1.5924   -1.8446 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