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
4.4766 -0.0074 -0.2683 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3336 0.6065 -0.4392 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0986 -0.1196 -0.2446 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0769 -1.3504 0.0913 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8417 0.5295 -0.4254 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4208 -0.1691 -0.2393 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5141 0.8363 -0.5066 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1352 0.2125 -0.3368 S 0 0 0 0 0 6 0 0 0 0 0 0
-3.4602 -0.2496 1.0434 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3904 -0.8238 -1.3789 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2002 1.4955 -0.6770 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5480 -0.5572 1.2311 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4476 -1.3544 -1.1261 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4900 -1.0387 0.0131 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4249 0.5082 -0.4063 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3035 1.6345 -0.7198 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8890 1.5360 -0.6993 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4153 1.7309 0.1420 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4272 1.2331 -1.5582 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0000 2.2760 -0.1032 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8004 0.3944 1.7631 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3340 -1.3220 1.3734 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4024 -0.9025 1.6592 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5393 -1.4938 -1.6514 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1883 -1.3241 -1.9441 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5948 -2.2806 -0.5319 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