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
   -4.2020   -0.3178   -0.4478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9690   -0.7674   -0.3082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8427    0.1574   -0.1734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0464    1.3835   -0.1902 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5340   -0.3577   -0.0253 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6036    0.5318    0.1106 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8796   -0.2338    0.2530 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2788   -1.2828   -1.0728 S   0  0  0  0  0  6  0  0  0  0  0  0
    2.5523   -0.4349   -2.3084 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2739   -2.3118   -1.3955 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7449   -2.0478   -0.7162 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3900    1.2858    1.4289 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5700    1.5095   -1.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0193   -0.9837   -0.5456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3675    0.7385   -0.4612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8101   -1.8387   -0.2957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3635   -1.3890   -0.0108 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7800   -0.8552    1.1857 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7380    0.4405    0.4497 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6726   -3.0215   -0.8111 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0346    2.3165    1.2465 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3624    1.3921    1.9693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2701    0.7035    2.0998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0163    1.0999   -1.8748 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5619    1.8792   -1.3244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0018    2.4038   -0.6772 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