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
    4.2880   -0.0520   -0.4208 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1149    0.4371   -0.0893 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8598   -0.1815   -0.4807 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8653   -1.2524   -1.1802 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6210    0.3927   -0.0930 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6504   -0.1928   -0.4626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8148    0.5874    0.0609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8588    0.7247    1.8133 S   0  0  0  0  0  6  0  0  0  0  0  0
   -0.6749    1.4177    2.3773 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0521   -0.6365    2.4123 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2398    1.6352    2.2059 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7770   -0.2522   -1.9719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7741   -1.6204    0.0506 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4229   -0.9501   -1.0087 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1808    0.4567   -0.0975 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0808    1.3354    0.4978 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6694    1.2659    0.4763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8370    1.6222   -0.3875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7676    0.1225   -0.2639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6363    2.0571    1.4203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1415   -1.0700   -2.3644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8351   -0.5795   -2.1889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6430    0.7101   -2.4622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8437   -1.8965    0.2276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4045   -2.3418   -0.7320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1522   -1.7390    0.9472 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