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
3.5489 0.8532 0.2184 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2608 -0.4175 0.2763 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8824 -0.8637 0.2895 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6024 -2.1146 0.3465 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7479 -0.0158 0.2436 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6007 -0.4757 0.2575 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6400 0.5716 0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6219 1.6114 -1.2040 S 0 0 0 0 0 6 0 0 0 0 0 0
-0.3531 2.3331 -1.4158 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9085 0.7963 -2.4465 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8709 2.7298 -1.0818 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9022 -1.3373 1.4917 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8003 -1.3954 -0.9439 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8077 1.6579 0.1767 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6067 1.1724 0.2093 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0614 -1.1291 0.3140 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9301 1.0025 0.1970 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5849 1.2206 1.1270 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6357 0.0828 0.2610 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8442 3.1003 -0.1834 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5003 -2.3524 1.3802 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0254 -1.4449 1.4917 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6447 -0.8286 2.4228 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1445 -0.9838 -1.7508 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4967 -2.4140 -0.6326 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8742 -1.3592 -1.2487 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