name of dansyllysine

dansyllysine

formula | C_18H_25N_3O_4S name | dansyllysine IUPAC name | (2S)-2-amino-6-[(5-dimethylaminonaphthalen-1-yl)sulfonylamino]hexanoic acid mass fractions | C (carbon) 57% | H (hydrogen) 6.64% | N (nitrogen) 11.1% | O (oxygen) 16.9% | S (sulfur) 8.45%

Draw the Lewis structure of dansyllysine. Start by drawing the overall structure of the molecule, ignoring potential double and triple bonds: Count the total valence electrons of the carbon (n_C, val = 4), hydrogen (n_H, val = 1), nitrogen (n_N, val = 5), oxygen (n_O, val = 6), and sulfur (n_S, val = 6) atoms: 18 n_C, val + 25 n_H, val + 3 n_N, val + 4 n_O, val + n_S, val = 142 Calculate the number of electrons needed to completely fill the valence shells for carbon (n_C, full = 8), hydrogen (n_H, full = 2), nitrogen (n_N, full = 8), oxygen (n_O, full = 8), and sulfur (n_S, full = 8): 18 n_C, full + 25 n_H, full + 3 n_N, full + 4 n_O, full + n_S, full = 258 Subtracting these two numbers shows that 258 - 142 = 116 bonding electrons are needed. Each bond has two electrons, so in addition to the 52 bonds already present in the diagram we expect to add 6 bonds. To minimize formal charge oxygen wants 2 bonds and carbon wants 4 bonds. Identify the atoms that want additional bonds and the number of electrons remaining on each atom: Add 6 bonds by pairing electrons between adjacent highlighted atoms. Additionally, atoms with large electronegativities can minimize their formal charge by forcing atoms with smaller electronegativities on period 3 or higher to expand their valence shells. The electronegativities of the atoms are 2.20 (hydrogen), 2.55 (carbon), 2.58 (sulfur), 3.04 (nitrogen), and 3.44 (oxygen). Because the electronegativity of sulfur is smaller than the electronegativity of oxygen, expand the valence shell of sulfur to 6 bonds. Therefore we add a total of 8 bonds to the diagram. Note that the six atom rings are aromatic, so that the single and double bonds may be rearranged: Answer: | |

3D structure

molar mass | 379.47 g/mol phase | solid (at STP)

predicted LogP hydrophobicity | -0.68 predicted LogS | -3.69

approval status | experimental | small molecule

CAS number | 1101-84-4 PubChem CID number | 121945 PubChem SID number | 15524920 SMILES identifier | CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCCCCC(C(=O)O)N InChI identifier | InChI=1/C18H25N3O4S/c1-21(2)16-10-5-8-14-13(16)7-6-11-17(14)26(24, 25)20-12-4-3-9-15(19)18(22)23/h5-8, 10-11, 15, 20H, 3-4, 9, 12, 19H2, 1-2H3, (H, 22, 23)/t15-/m0/s1/f/h22H InChI key | VQPRNSWQIAHPMS-ALGICJAMDS