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
    3.9682    0.5393   -1.5604 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2742   -0.0514   -0.6096 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8158    0.0544   -0.6454 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2299    0.6782   -1.5374 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0523   -0.5813    0.3793 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3915   -0.5152    0.4062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9019    0.8810    0.5255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6703    0.9687    0.5617 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.1485    0.2722    1.8194 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2969    0.4060   -0.6602 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1521    2.5735    0.6970 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8512   -1.0541   -0.9582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8959   -1.4167    1.5048 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0409    0.4598   -1.5315 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5140    1.0995   -2.3677 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7623   -0.5887    0.1603 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5651   -1.1195    1.1459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5697    1.4855   -0.3395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4914    1.3634    1.4271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8826    3.1238   -0.0710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1460   -1.8415   -1.2841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9210   -0.2256   -1.6879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708   -1.4902   -0.7491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7990   -1.9676    1.1680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1339   -2.1885    1.7634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1001   -0.8650    2.4438 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