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
    4.3929    0.2765    1.1406 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3988    0.5972    0.3302 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0562    0.0715    0.6012 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8343   -0.6766    1.5877 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9494    0.3815   -0.2341 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3874   -0.0875   -0.0384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2533    0.4545   -1.1571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9290   -0.0463   -1.0429 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.5865    0.4763    0.1994 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1045   -1.5297   -1.1846 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7438    0.6469   -2.3660 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9651    0.2343    1.3156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3782   -1.5920   -0.2044 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2245   -0.3609    1.9884 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3892    0.6532    0.9584 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5372    1.2337   -0.5272 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1879    1.0162   -1.0560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8694    0.1469   -2.1509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2201    1.5589   -1.1398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8838    1.6087   -2.2277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6366   -0.6016    1.6005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1992    0.3075    2.0927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6261    1.1369    1.2774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2582   -2.0215    0.3358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4739   -1.8329   -1.2828 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5444   -2.0518    0.1983 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