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
3.9600 1.1469 0.5147 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6619 1.1734 0.7589 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7932 0.1833 0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2730 -0.6763 -0.6117 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3910 0.1800 0.3780 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.5322 -0.7431 -0.1804 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9250 -0.4193 0.2973 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5100 1.1728 -0.1320 S 0 0 0 0 0 6 0 0 0 0 0 0
-3.8947 1.3047 0.4953 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7336 1.3311 -1.6140 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6048 2.4357 0.4563 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4772 -0.7787 -1.6984 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2712 -2.1864 0.2597 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5924 1.8852 0.9796 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3910 0.4014 -0.1390 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2336 1.9153 1.4093 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0485 0.9237 1.0199 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8804 -0.4494 1.4269 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6343 -1.2068 0.0238 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7333 2.6027 1.4208 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5313 0.2045 -2.1597 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2842 -1.4817 -2.0383 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4728 -1.2588 -1.9842 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2818 -2.2880 1.3584 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6207 -2.6035 -0.2271 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1441 -2.7687 -0.1531 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