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
    4.0055    0.2591    0.4154 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4756   -0.4506   -0.5373 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0390   -0.5878   -0.7111 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5694   -1.2923   -1.6574 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    0.0256    0.1233 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3482   -0.1441   -0.0983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0813    0.6214    0.9792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8267    0.5269    0.8762 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.3774    1.4067    1.9895 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3571   -0.8514    1.1482 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4262    1.1250   -0.5568 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7856   -1.5848    0.0296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6792    0.3585   -1.4736 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0735    0.3795    0.5695 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3706    0.7749    1.1159 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1227   -0.9691   -1.2413 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3781    0.6147    0.9177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7670    0.2261    1.9669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7981    1.7007    0.9282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5710    2.1118   -0.5427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2269   -1.7967    1.0306 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0557   -2.2750   -0.1845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5939   -1.7490   -0.7135 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2496    0.5687   -2.0099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2484    1.3258   -1.3290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3194   -0.3246   -2.0563 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