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
3.5012 1.0470 0.2883 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7906 1.0127 -0.8176 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4798 0.3957 -0.8488 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8401 0.3934 -1.9484 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8611 -0.2117 0.2836 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4411 -0.8073 0.1905 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5222 0.1347 -0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7412 1.4923 0.8725 S 0 0 0 0 0 6 0 0 0 0 0 0
-0.4921 2.3538 0.8670 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9971 1.0790 2.2720 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9825 2.4558 0.2809 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8252 -1.4093 1.5247 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4343 -1.9513 -0.8311 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1730 0.6336 1.2198 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4913 1.5348 0.2333 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1748 1.4468 -1.7274 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3728 -0.2151 1.1815 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4827 -0.4584 -0.2056 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3833 0.4782 -1.2424 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2902 2.1479 -0.6068 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1825 -1.0455 2.3485 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8852 -1.2031 1.7630 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6675 -2.5277 1.5075 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5904 -2.2813 -1.0668 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9649 -1.6565 -1.7639 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9832 -2.8385 -0.4299 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