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
    4.0369    0.8973   -0.1696 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9947    0.3348   -0.7283 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7294    0.1411   -0.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6272    0.5271    1.2077 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6118   -0.4637   -0.6065 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6584   -0.6742    0.0722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2849    0.6037    0.5256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6388    1.7450   -0.7623 S   0  0  0  0  0  6  0  0  0  0  0  0
   -0.4397    2.2389   -1.4812 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3223    2.9373   -0.1428 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7014    1.1123   -1.8978 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3509   -1.5092    1.3029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5936   -1.5098   -0.7891 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9415    1.0219   -0.7281 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9898    1.2347    0.8459 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0184   -0.0162   -1.7593 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7428   -0.7716   -1.6195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2510    0.3938    1.0487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6322    1.0519    1.2984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6114    1.1185   -1.4743 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7291   -1.7242    1.4166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6360   -0.9635    2.2492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8626   -2.4902    1.2951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5668   -1.1951   -1.8486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5892   -1.4563   -0.3340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2822   -2.5841   -0.7265 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