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
    4.2841   -0.5931    0.3990 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3233    0.2475    0.0927 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9168   -0.2067    0.0462 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7055   -1.4044    0.3086 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8666    0.6667   -0.2776 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5163    0.2680   -0.3308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9516   -0.2000    1.0117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6494   -0.7135    1.0541 S   0  0  0  0  0  6  0  0  0  0  0  0
   -2.8984   -1.9229    0.2353 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9670   -1.0573    2.4902 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6501    0.5670    0.6236 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3344    1.4308   -0.8496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5767   -0.8751   -1.3543 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2972   -0.2396    0.4262 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1043   -1.6390    0.6287 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5624    1.2745   -0.1259 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1519    1.6702   -0.4886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8382    0.6092    1.7666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2908   -1.0174    1.3501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3230    1.4271    0.9401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3323    1.1222   -1.2242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7820    1.8047   -1.7619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3436    2.2518   -0.1350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3863   -1.8508   -0.8702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5751   -0.9271   -1.8241 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2031   -0.6927   -2.1311 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