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
    3.9009    0.1550   -1.0764 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2422    0.8962   -0.2320 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8416    0.6560    0.0305 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2951    1.4443    0.8772 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0549   -0.3555   -0.5618 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3379   -0.5141   -0.2403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1074    0.6808   -0.6238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8407    0.5747   -0.2678 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.1148    0.3711    1.1820 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4881   -0.5328   -1.0513 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5387    2.0205   -0.7735 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3901   -0.6752    1.2877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8647   -1.8106   -0.7973 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4163   -0.6475   -1.5927 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9530    0.3064   -1.2980 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7659    1.6922    0.2658 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4946   -0.9973   -1.2440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7315    1.5952   -0.1363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0309    0.8708   -1.7311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2924    2.7795   -0.1840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7302    0.2865    1.7384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1648   -1.4240    1.5736 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5808   -0.9278    1.7098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0790   -2.5794   -0.6355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7273   -2.1129   -0.1689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1067   -1.7520   -1.8735 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