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
    3.4798    0.7851   -0.9969 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8784    1.3460    0.0208 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5945    0.9097    0.5476 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0739    1.4989    1.5330 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8299   -0.1742    0.0308 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4413   -0.5601    0.5981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4756    0.5039    0.5637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8697    1.0634   -1.0648 S   0  0  0  0  0  6  0  0  0  0  0  0
   -2.9896    2.0642   -0.9610 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6916    1.6569   -1.7616 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4513   -0.2172   -1.9850 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9033   -1.8229   -0.0941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2507   -0.9475    2.0724 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4131    1.1361   -1.3456 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0112   -0.0484   -1.4840 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3598    2.1834    0.5023 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2302   -0.6859   -0.7860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2358    1.3300    1.2570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4210    0.0459    0.9757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4337   -0.3047   -1.9314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8854   -2.1528    0.2641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8358   -1.7326   -1.1957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1794   -2.6292    0.2138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1947   -0.0698    2.7152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1902   -1.5093    2.3350 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5783   -1.6691    2.1927 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