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
    4.4661    0.3570   -0.2987 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3406   -0.1064   -0.8045 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0558    0.1293   -0.1522 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0677    0.8057    0.9328 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8337   -0.3642   -0.6859 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3844   -0.0719    0.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5959   -0.6642   -0.6408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0523   -0.2887    0.2750 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.0256   -0.8893    1.6539 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2527    1.1890    0.4173 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4224   -0.9504   -0.4845 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4919    1.4532    0.1051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2559   -0.6912    1.4156 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4218    0.1907   -0.7693 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4799    0.9353    0.6282 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4075   -0.6688   -1.7229 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8472   -0.9136   -1.5712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7139   -0.2951   -1.6767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4627   -1.7646   -0.6246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0842   -0.2502   -0.6980 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4389    1.9520   -0.2644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2700    1.7909   -0.6427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7984    1.7918    1.1066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8321   -1.6489    1.4313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5202   -0.0036    2.2223 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8034   -1.0238    1.6262 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