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
    2.9329   -0.3634    1.9404 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0266   -0.5405    0.6417 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9061   -0.3141   -0.2694 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0384   -0.4968   -1.5170 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6305    0.1112    0.1496 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4787    0.3345   -0.7574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7186    0.7814   -0.0575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3396   -0.3404    1.1333 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.5648    0.3105    1.7646 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8263   -1.6267    0.5371 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2800   -0.6719    2.3665 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7536   -0.8256   -1.6581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0409    1.4881   -1.6637 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7926   -0.5451    2.5697 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0351   -0.0400    2.4447 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9580   -0.8667    0.1992 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4845    0.2725    1.1692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5040    1.7427    0.4556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4950    0.9677   -0.8139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5832   -1.4881    2.8406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7709   -0.7043   -2.0865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0529   -0.7668   -2.5155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6214   -1.8124   -1.1918 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4767    2.2809   -1.0878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9147    1.9618   -2.1516 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6630    1.1515   -2.4418 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