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
    3.9657   -0.1682    0.6525 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2642    0.9227    0.8306 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8307    0.9392    0.5927 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1662    2.0075    0.7708 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0863   -0.1866    0.1607 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3386   -0.1721   -0.0784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7508    0.7970   -1.1555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4966    0.7949   -1.4311 S   0  0  0  0  0  6  0  0  0  0  0  0
   -2.7753    1.8309   -2.5037 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9871   -0.5131   -1.9695 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3686    1.2107   -0.0856 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8219   -1.5744   -0.3613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9769    0.2345    1.2564 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5833   -1.1116    0.3312 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0405   -0.1455    0.8404 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7498    1.8275    1.1589 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6100   -1.0727    0.0096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4802    1.8160   -0.8398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2548    0.5675   -2.1062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8007    0.4466    0.3739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9065   -1.6581   -0.1741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3130   -2.2423    0.3719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5193   -1.9351   -1.3619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2814    0.1474    2.0922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8561   -0.4086    1.4904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3688    1.2769    1.1346 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