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
    4.3210    0.4146   -0.3264 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2897   -0.0677    0.3372 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9257   -0.0061   -0.1867 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7324    0.5318   -1.3215 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8382   -0.5356    0.5550 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5296   -0.5122    0.1164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9634    0.9104   -0.0312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6444    1.0725   -0.5678 S   0  0  0  0  0  6  0  0  0  0  0  0
   -2.9276    0.3478   -1.8236 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5285    0.5235    0.5355 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0038    2.7086   -0.6933 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6988   -1.2898   -1.1859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3600   -1.2463    1.1672 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3288    0.3692    0.0606 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1409    0.8701   -1.2920 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4735   -0.5199    1.2973 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0674   -0.9629    1.4716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2722    1.4301   -0.7166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8476    1.3907    0.9677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6262    3.1775    0.1051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7706   -0.5367   -1.9964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5943   -1.9476   -1.1377 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2085   -1.9029   -1.4024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4136   -0.5792    2.0506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7787   -2.1497    1.4486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3671   -1.4905    0.7918 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