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
   -4.1231    0.2843   -0.7613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0616    0.1472   -0.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7669   -0.1712   -0.5827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6082   -0.3268   -1.8033 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6186   -0.3185    0.2418 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6822   -0.6238   -0.1909 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3402    0.3098   -1.1347 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5056    1.9610   -0.4418 S   0  0  0  0  0  6  0  0  0  0  0  0
    0.1650    2.5763   -0.2045 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2458    2.8222   -1.4254 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4303    1.9091    0.9606 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6226   -1.9877   -0.9003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5950   -0.8286    0.9959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0864    0.5215   -0.3311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0252    0.1565   -1.8268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1594    0.2749    1.0567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7839   -0.1810    1.2642 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9116    0.3524   -2.1465 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3904   -0.0329   -1.2763 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9995    2.7091    1.0694 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1800   -1.8300   -1.8818 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6770   -2.3270   -1.0150 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250   -2.6942   -0.2692 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3883   -0.0853    1.8150 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6494   -0.7943    0.6805 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4254   -1.8229    1.4618 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