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
    3.8633   -0.2087    0.8428 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0731    0.8105    1.0727 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6809    0.7949    0.6879 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9385    1.8069    0.9275 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0780   -0.3127    0.0413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3313   -0.2852   -0.3234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1679   -0.1583    0.8872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9065   -0.1153    0.5672 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.3681   -1.4182    0.0300 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5984    0.1023    1.8906 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3111    1.1841   -0.4147 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5093    0.8401   -1.3169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6265   -1.5672   -1.0772 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5406   -1.1110    0.3619 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9178   -0.1862    1.1389 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4681    1.6937    1.5650 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6577   -1.1782   -0.1827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9390    0.6766    1.5554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9938   -1.0873    1.5066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8191    1.9744   -0.0510 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3725    0.8087   -1.9943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4158    0.6986   -1.9371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5568    1.8291   -0.8689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6017   -1.4870   -1.6335 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1707   -1.6663   -1.8458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6157   -2.4383   -0.3982 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