About tert-butyl (1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;(1S,4S)-2-(5-ethynyl-2-pyridinyl)-5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptane;2-fluoro-5-iodopyridine;(1S,4S)-2-(5-iodo-2-pyridinyl)-5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptane;sulfanylidene-[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
tert-butyl (1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;(1S,4S)-2-(5-ethynyl-2-pyridinyl)-5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptane;2-fluoro-5-iodopyridine;(1S,4S)-2-(5-iodo-2-pyridinyl)-5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptane;sulfanylidene-[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane (PubChem CID 159770412) has the molecular formula C43H54FI2N9O4S30
and a molecular weight of 1995.78 g/mol. Its IUPAC name is tert-butyl (1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;(1S,4S)-2-(5-ethynyl-2-pyridinyl)-5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptane;2-fluoro-5-iodopyridine;(1S,4S)-2-(5-iodo-2-pyridinyl)-5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptane;sulfanylidene-[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane.
Frequently Asked Questions
What is the IUPAC name of tert-butyl (1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;(1S,4S)-2-(5-ethynyl-2-pyridinyl)-5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptane;2-fluoro-5-iodopyridine;(1S,4S)-2-(5-iodo-2-pyridinyl)-5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptane;sulfanylidene-[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?
The IUPAC name of tert-butyl (1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;(1S,4S)-2-(5-ethynyl-2-pyridinyl)-5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptane;2-fluoro-5-iodopyridine;(1S,4S)-2-(5-iodo-2-pyridinyl)-5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptane;sulfanylidene-[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane (CID 159770412) is tert-butyl (1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;(1S,4S)-2-(5-ethynyl-2-pyridinyl)-5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptane;2-fluoro-5-iodopyridine;(1S,4S)-2-(5-iodo-2-pyridinyl)-5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptane;sulfanylidene-[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane.
What is the SMILES notation for tert-butyl (1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;(1S,4S)-2-(5-ethynyl-2-pyridinyl)-5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptane;2-fluoro-5-iodopyridine;(1S,4S)-2-(5-iodo-2-pyridinyl)-5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptane;sulfanylidene-[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?
The canonical SMILES for tert-butyl (1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;(1S,4S)-2-(5-ethynyl-2-pyridinyl)-5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptane;2-fluoro-5-iodopyridine;(1S,4S)-2-(5-iodo-2-pyridinyl)-5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptane;sulfanylidene-[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane is C#Cc1ccc(N2C[C@@H]3C[C@H]2CN3C2COC2)nc1.CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2.Fc1ccc(I)cn1.Ic1ccc(N2C[C@@H]3C[C@H]2CN3C2COC2)nc1.S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S.
What is the InChIKey of tert-butyl (1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;(1S,4S)-2-(5-ethynyl-2-pyridinyl)-5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptane;2-fluoro-5-iodopyridine;(1S,4S)-2-(5-iodo-2-pyridinyl)-5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptane;sulfanylidene-[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?
The InChIKey is NGAQVNGGZUDPOM-KIKKEIKNSA-N. The full InChI is InChI=1S/C15H17N3O.C13H16IN3O.C10H18N2O2.C5H3FIN.S30/c1-2-11-3-4-15(16-6-11)18-8-12-5-13(18)7-17(12)14-9-19-10-14;14-9-1-2-13(15-4-9)17-6-10-3-11(17)5-16(10)12-7-18-8-12;1-10(2,3)14-9(13)12-6-7-4-8(12)5-11-7;6-5-2-1-4(7)3-8-5;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h1,3-4,6,12-14H,5,7-10H2;1-2,4,10-12H,3,5-8H2;7-8,11H,4-6H2,1-3H3;1-3H;/t12-,13-;10-,11-;7-,8-;;/m000../s1.
What are the key properties of tert-butyl (1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;(1S,4S)-2-(5-ethynyl-2-pyridinyl)-5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptane;2-fluoro-5-iodopyridine;(1S,4S)-2-(5-iodo-2-pyridinyl)-5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptane;sulfanylidene-[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?
tert-butyl (1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;(1S,4S)-2-(5-ethynyl-2-pyridinyl)-5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptane;2-fluoro-5-iodopyridine;(1S,4S)-2-(5-iodo-2-pyridinyl)-5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptane;sulfanylidene-[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane has a molecular weight of 1995.78 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;(1S,4S)-2-(5-ethynyl-2-pyridinyl)-5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptane;2-fluoro-5-iodopyridine;(1S,4S)-2-(5-iodo-2-pyridinyl)-5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptane;sulfanylidene-[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane is sourced from PubChem (CID 159770412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).