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
    4.3511   -1.1534    0.0744 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3282   -0.5280    0.6221 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0254   -0.5805    0.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8426   -1.2113   -1.0490 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9081    0.0922    0.5863 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4168    0.0414   -0.0384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3341    0.8525    0.8410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9880    0.9397    0.2947 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.1899    1.4872   -1.0539 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6049   -0.4467    0.3295 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8582    1.8762    1.3876 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3834    0.5158   -1.4517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9465   -1.3805   -0.0348 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2413   -1.7151   -0.8416 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3419   -1.1383    0.5060 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4654    0.0223    1.5316 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1021    0.6112    1.4707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9184    1.8761    0.9847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3220    0.3753    1.8436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4038    2.7385    1.5619 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6910    0.6988   -1.7491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7423   -0.2563   -2.1577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8826    1.4947   -1.5981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3732   -1.6723    0.9443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1947   -2.1248   -0.3097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7382   -1.4148   -0.8361 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