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
    3.3231    1.0251    0.9265 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9888   -0.2059    1.2023 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7294   -0.7890    0.8099 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4458   -1.9938    1.1005 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7289   -0.1062    0.0933 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5254   -0.6727   -0.3026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3360    0.3541   -1.0386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7189    1.7955   -0.1198 S   0  0  0  0  0  6  0  0  0  0  0  0
   -2.6450    1.4311    1.0213 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5593    2.5900    0.3353 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6332    2.8006   -1.1437 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2931   -1.3155    0.8019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2044   -1.7732   -1.3231 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6514    1.6588    0.3836 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2799    1.3992    1.2490 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7083   -0.8325    1.7654 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9142    0.8812   -0.1714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7990    0.6840   -1.9696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3193   -0.0681   -1.3951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7027    3.6900   -0.6729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3443   -0.7119    1.7209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9070   -2.3396    1.0033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3377   -1.4571    0.4429 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4870   -1.3683   -2.1061 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2526   -2.6218   -0.8102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1838   -2.0537   -1.8029 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