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
    3.8319    0.9814    0.1341 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6934    0.9834   -0.5079 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6129    0.1276   -0.0754 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7926   -0.6087    0.9197 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3426    0.0983   -0.7534 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7448   -0.7553   -0.3261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2033   -0.4677    1.0763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7836    1.1660    1.3138 S   0  0  0  0  0  6  0  0  0  0  0  0
   -2.1048    1.3441    2.7719 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9891    1.5054    0.5213 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5599    2.2931    0.9647 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8564   -0.6030   -1.3433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3041   -2.2161   -0.3962 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6522    1.6231   -0.1845 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9922    0.3400    1.0031 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5585    1.6200   -1.3569 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2738    0.7426   -1.5757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3691   -0.6530    1.7757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0097   -1.1666    1.3647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9760    3.1909    0.8312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4918   -1.1161   -2.2713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0002    0.4588   -1.6360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7719   -1.1007   -1.0252 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7897   -2.3160   -0.3744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6505   -2.7038   -1.3318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7246   -2.7676    0.4814 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