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
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
3.6434 -0.1232 0.2803 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9309 -0.0302 -0.8105 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4871 -0.1659 -0.8035 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8848 -0.0611 -1.9021 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6964 -0.4097 0.3575 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7282 -0.5206 0.3971 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5652 0.6653 0.2493 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5663 1.7399 -1.0743 S 0 0 0 0 0 6 0 0 0 0 0 0
-2.0699 1.1614 -2.3715 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5820 2.8510 -0.7730 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1240 2.5706 -1.3006 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0543 -1.0101 1.8418 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2117 -1.7177 -0.4289 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7350 -0.0055 0.1709 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2582 -0.3023 1.2604 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4166 0.1572 -1.7826 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2988 -0.5058 1.2384 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3498 1.2981 1.1897 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6589 0.3795 0.4743 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0949 3.4384 -0.8712 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0775 -1.4191 1.8764 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9462 -0.1314 2.4997 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2778 -1.7411 2.1247 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7498 -1.7616 -1.4140 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3167 -1.6779 -0.5069 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9778 -2.6784 0.0784 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