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
    2.9705    0.6745   -1.9907 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9010    0.8134   -0.6857 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7661    0.3373    0.0950 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7279    0.4869    1.3599 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6380   -0.3147   -0.4663 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4915   -0.7929    0.2718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2276    0.2713    1.0175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8826    1.5501    0.0146 S   0  0  0  0  0  6  0  0  0  0  0  0
   -0.8459    2.3058   -0.7387 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9127    1.0565   -0.9577 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6626    2.6300    1.0455 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0731   -1.7385    1.3473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4212   -1.6360   -0.5672 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2128    0.2060   -2.5961 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8341    1.0457   -2.5183 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7050    1.2949   -0.1605 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6383   -0.4532   -1.4995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5528    0.7191    1.7625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0609   -0.1880    1.5803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9865    3.2977    1.3240 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2610   -1.1653    2.2776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6347   -2.5951    1.5143 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0192   -2.1991    0.9964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5204   -2.6781   -0.2074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4545   -1.2220   -0.5922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0933   -1.7063   -1.6264 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