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
4.1896 0.7403 -0.9095 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1204 0.0320 -1.2152 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9348 0.1228 -0.3670 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9233 0.8524 0.6287 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7570 -0.6207 -0.6540 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4533 -0.5956 0.1167 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9925 0.8100 0.1147 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4942 0.9757 1.0352 S 0 0 0 0 0 6 0 0 0 0 0 0
-3.6057 0.1605 0.4616 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2502 0.6725 2.4826 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9692 2.5864 0.9414 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2827 -1.1503 1.5039 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4863 -1.4590 -0.5736 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0869 0.7017 -1.5106 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2326 1.3985 -0.0439 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1515 -0.5991 -2.0894 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7895 -1.2381 -1.5068 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2807 1.5376 0.5507 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2057 1.1537 -0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0010 2.9141 0.0128 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2482 -1.5478 1.8345 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0311 -0.3892 2.2412 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4142 -2.0129 1.4385 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2223 -0.8469 -1.1498 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0991 -2.0398 0.1627 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0397 -2.1591 -1.3070 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