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
    3.5012    1.0470    0.2883 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7906    1.0127   -0.8176 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4798    0.3957   -0.8488 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8401    0.3934   -1.9484 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8611   -0.2117    0.2836 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4411   -0.8073    0.1905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5222    0.1347   -0.2210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7412    1.4923    0.8725 S   0  0  0  0  0  6  0  0  0  0  0  0
   -0.4921    2.3538    0.8670 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9971    1.0790    2.2720 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9825    2.4558    0.2809 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8252   -1.4093    1.5247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4343   -1.9513   -0.8311 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1730    0.6336    1.2198 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4913    1.5348    0.2333 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1748    1.4468   -1.7274 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3728   -0.2151    1.1815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4827   -0.4584   -0.2056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833    0.4782   -1.2424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2902    2.1479   -0.6068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1825   -1.0455    2.3485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8852   -1.2031    1.7630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6675   -2.5277    1.5075 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5904   -2.2813   -1.0668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9649   -1.6565   -1.7639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9832   -2.8385   -0.4299 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