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
3.4798 0.7851 -0.9969 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8784 1.3460 0.0208 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5945 0.9097 0.5476 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0739 1.4989 1.5330 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8299 -0.1742 0.0308 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4413 -0.5601 0.5981 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4756 0.5039 0.5637 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8697 1.0634 -1.0648 S 0 0 0 0 0 6 0 0 0 0 0 0
-2.9896 2.0642 -0.9610 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6916 1.6569 -1.7616 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4513 -0.2172 -1.9850 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9033 -1.8229 -0.0941 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2507 -0.9475 2.0724 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4131 1.1361 -1.3456 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0112 -0.0484 -1.4840 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3598 2.1834 0.5023 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2302 -0.6859 -0.7860 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2358 1.3300 1.2570 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4210 0.0459 0.9757 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4337 -0.3047 -1.9314 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8854 -2.1528 0.2641 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8358 -1.7326 -1.1957 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1794 -2.6292 0.2138 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1947 -0.0698 2.7152 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1902 -1.5093 2.3350 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5783 -1.6691 2.1927 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