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
    3.6040    0.8108    0.1212 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9389    0.4685   -0.9422 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5763   -0.0479   -0.9111 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0056   -0.3569   -2.0066 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8121   -0.2406    0.2660 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5269   -0.7531    0.2086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5023    0.0719   -0.5585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7061    1.7103    0.0724 S   0  0  0  0  0  6  0  0  0  0  0  0
   -2.3550    1.5709    1.4438 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4261    2.4389    0.1859 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8274    2.5081   -0.8912 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9990   -0.9935    1.6473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5604   -2.1514   -0.4351 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6216    1.1966    0.0996 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1502    0.7193    1.0942 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4443    0.5810   -1.9001 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2689    0.0076    1.1724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833   -0.4804   -0.4972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333    0.0526   -1.6270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7820    3.4877   -0.8029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4795   -1.9209    1.9743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0773   -1.1021    1.7132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6012   -0.1788    2.3056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5069   -2.6104   -0.0801 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3064   -2.7438   -0.1209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6614   -2.0443   -1.5318 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