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
    3.9877   -0.0917    1.1406 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4978   -0.5420    0.0292 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0832   -0.4991   -0.3329 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6942   -0.9642   -1.4433 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0713    0.0450    0.4963 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3400    0.0593    0.0750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1117    0.7013    1.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8276    0.8368    0.9278 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.2466    1.7494   -0.1564 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4400    1.3904    2.2117 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5682   -0.6666    0.7061 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8729   -1.3475   -0.1003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4168    0.7626   -1.2338 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0377   -0.1532    1.3465 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3455    0.3525    1.8765 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1946   -0.9897   -0.6966 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3776    0.4326    1.4158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7025    1.7091    1.4084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9442    0.1019    2.1065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4203   -0.5517    0.1830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1503   -2.0496   -0.5134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3305   -1.7199    0.8488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7003   -1.2523   -0.8640 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4878    1.4038   -1.4173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3534   -0.0195   -2.0404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3523    1.3023   -1.4316 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