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
    3.3168    1.3014   -0.0338 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9738    0.2584   -0.7603 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6846   -0.3885   -0.7061 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5006   -1.3796   -1.4631 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6404    0.0394    0.1477 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6082   -0.7165    0.0901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6472   -0.1715    1.0391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0817    1.5024    0.7164 S   0  0  0  0  0  6  0  0  0  0  0  0
   -2.7683    1.5889   -0.6367 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1140    1.9105    1.7299 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8072    2.5525    0.8248 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0758   -0.7753   -1.3240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3507   -2.1529    0.5664 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5884    1.7059    0.6520 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2804    1.7762   -0.0817 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7411   -0.1141   -1.4372 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7836    0.8461    0.7675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2552   -0.2915    2.0583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5421   -0.8074    0.9326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6882    3.1257    0.0139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9186   -1.8041   -1.7606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4763   -0.1061   -2.0069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1338   -0.4996   -1.4730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3655   -2.5674    0.8377 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2143   -2.0618    1.5049 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1092   -2.7710   -0.1980 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