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
   -4.3334   -0.6522    0.3180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3696    0.0185   -0.2917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9716   -0.2381    0.0176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6391   -1.1160    0.8844 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9361    0.4750   -0.6303 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4694    0.2814   -0.3805 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8683    0.5579    1.0435 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5831    0.3192    1.3325 S   0  0  0  0  0  6  0  0  0  0  0  0
    2.8345    0.5517    2.8086 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4439    1.2998    0.5963 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0694   -1.2562    1.0075 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2359    1.1661   -1.3370 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7812   -1.1904   -0.6678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1121   -1.4043    1.0579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3656   -0.4613    0.0883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5971    0.7689   -1.0301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2568    1.1904   -1.3394 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5874    1.5642    1.3852 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3207   -0.1604    1.6868 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6418   -1.3210    0.2126 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2569    0.7987   -1.5434 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6997    1.2537   -2.3095 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2377    2.2006   -0.9082 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7147   -1.2109   -1.2725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0537   -1.6719   -1.2343 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8906   -1.7633    0.2746 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