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
4.4034 0.3602 -0.3263 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3774 -0.2891 0.1183 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0077 0.0528 -0.2698 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8378 1.0036 -1.0556 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8949 -0.6749 0.2314 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4577 -0.3880 -0.1105 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8854 1.0109 0.2726 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5672 1.2818 -0.1847 S 0 0 0 0 0 6 0 0 0 0 0 0
-2.7403 1.2157 -1.6625 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9707 2.6748 0.2473 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6188 0.2229 0.5539 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5815 -0.5213 -1.6294 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3840 -1.3760 0.5544 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2849 1.1837 -1.0045 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3999 0.0947 -0.0304 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5169 -1.1315 0.8136 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1073 -1.4577 0.8844 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7131 1.1922 1.3328 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2742 1.7552 -0.2890 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0152 0.5636 1.3888 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1343 -1.2700 -2.0283 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5960 -0.9336 -1.8308 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4095 0.4592 -2.0915 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1070 -1.7502 -0.1925 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7958 -2.2867 0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8483 -0.9925 1.4767 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