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
4.0796 0.6626 -0.4523 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8473 0.8230 -0.8920 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7847 0.0598 -0.2564 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0436 -0.7455 0.7045 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4280 0.1264 -0.6167 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6240 -0.6377 0.0223 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9701 -0.3718 -0.5587 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4950 1.2997 -0.4457 S 0 0 0 0 0 6 0 0 0 0 0 0
-3.8703 1.3804 -1.0943 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6971 1.6847 0.9922 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5178 2.3834 -1.2064 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3000 -2.1107 -0.2710 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5936 -0.4998 1.5266 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3238 -0.0133 0.3599 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9170 1.2121 -0.8947 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6347 1.4889 -1.6862 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1525 0.7640 -1.3930 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9861 -0.7504 -1.5951 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7052 -0.9898 0.0122 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9803 3.1343 -1.6435 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1937 -2.7325 -0.2993 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1991 -2.2084 -1.2668 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4114 -2.5174 0.4659 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1170 -1.2214 1.9379 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6096 -0.7560 1.8905 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3960 0.5355 1.8539 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