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
    4.4207   -0.3469   -0.1967 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3516    0.0018    0.4813 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0377   -0.1956   -0.1106 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9252   -0.6860   -1.2396 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8705    0.1735    0.6032 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4730   -0.0130    0.0319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4635    0.4616    1.0131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1462    0.3694    0.6362 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.6808   -1.0174    0.4584 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9611    0.9701    1.7780 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5657    1.2562   -0.7236 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6098   -1.5278   -0.1216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5117    0.5760   -1.3203 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3199   -0.7709   -1.1732 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3993   -0.2114    0.2179 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4198    0.4328    1.4702 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9564    0.5880    1.5571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2330    1.5353    1.2840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2820   -0.0856    1.9846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2601    2.1809   -0.6910 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3763   -2.0312   -0.1306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1561   -1.9597    0.7592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2207   -1.7704   -1.0275 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1904    1.4158   -1.4901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5168    0.8605   -1.6794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1873   -0.2059   -2.0590 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