5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-2-(2,3-dichlorophenyl)sulfanylpyridin-3-ol;(R)-N-[(4R)-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;5-bromo-2-(2,3-dichlorophenyl)sulfanyl-3-phenylmethoxypyridine;(R)-N-[(4R)-8-[6-(2,3-dichlorophenyl)sulfanyl-5-phenylmethoxy-3-pyridinyl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide

C82H98BrCl6N9O5S5 — CID 161428677

About 5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-2-(2,3-dichlorophenyl)sulfanylpyridin-3-ol;(R)-N-[(4R)-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;5-bromo-2-(2,3-dichlorophenyl)sulfanyl-3-phenylmethoxypyridine;(R)-N-[(4R)-8-[6-(2,3-dichlorophenyl)sulfanyl-5-phenylmethoxy-3-pyridinyl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide

5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-2-(2,3-dichlorophenyl)sulfanylpyridin-3-ol;(R)-N-[(4R)-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;5-bromo-2-(2,3-dichlorophenyl)sulfanyl-3-phenylmethoxypyridine;(R)-N-[(4R)-8-[6-(2,3-dichlorophenyl)sulfanyl-5-phenylmethoxy-3-pyridinyl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide (PubChem CID 161428677) has the molecular formula C82H98BrCl6N9O5S5 and a molecular weight of 1742.70 g/mol. Its IUPAC name is 5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-2-(2,3-dichlorophenyl)sulfanylpyridin-3-ol;(R)-N-[(4R)-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;5-bromo-2-(2,3-dichlorophenyl)sulfanyl-3-phenylmethoxypyridine;(R)-N-[(4R)-8-[6-(2,3-dichlorophenyl)sulfanyl-5-phenylmethoxy-3-pyridinyl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

• Compound Name: 5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-2-(2,3-dichlorophenyl)sulfanylpyridin-3-ol;(R)-N-[(4R)-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;5-bromo-2-(2,3-dichlorophenyl)sulfanyl-3-phenylmethoxypyridine;(R)-N-[(4R)-8-[6-(2,3-dichlorophenyl)sulfanyl-5-phenylmethoxy-3-pyridinyl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide
• PubChem CID: 161428677
• Molecular Formula: C82H98BrCl6N9O5S5
• Molecular Weight: 1742.70 g/mol
• Exact Mass: 1737.36
• IUPAC Name: 5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-2-(2,3-dichlorophenyl)sulfanylpyridin-3-ol;(R)-N-[(4R)-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;5-bromo-2-(2,3-dichlorophenyl)sulfanyl-3-phenylmethoxypyridine;(R)-N-[(4R)-8-[6-(2,3-dichlorophenyl)sulfanyl-5-phenylmethoxy-3-pyridinyl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide
• SMILES: CC(C)(C)[S@@](=O)N[C@@H]1CCCC12CCN(c1cnc(Sc3cccc(Cl)c3Cl)c(OCc3ccccc3)c1)CC2.CC(C)(C)[S@@](=O)N[C@@H]1CCCC12CCNCC2.Clc1cccc(Sc2ncc(Br)cc2OCc2ccccc2)c1Cl.N[C@@H]1CCCC12CCN(c1cnc(Sc3cccc(Cl)c3Cl)c(O)c1)CC2
• InChI: InChI=1S/C31H37Cl2N3O2S2.C20H23Cl2N3OS.C18H12BrCl2NOS.C13H26N2OS/c1-30(2,3)40(37)35-27-13-8-14-31(27)15-17-36(18-16-31)23-19-25(38-21-22-9-5-4-6-10-22)29(34-20-23)39-26-12-7-11-24(32)28(26)33;21-14-3-1-4-16(18(14)22)27-19-15(26)11-13(12-24-19)25-9-7-20(8-10-25)6-2-5-17(20)23;19-13-9-15(23-11-12-5-2-1-3-6-12)18(22-10-13)24-16-8-4-7-14(20)17(16)21;1-12(2,3)17(16)15-11-5-4-6-13(11)7-9-14-10-8-13/h4-7,9-12,19-20,27,35H,8,13-18,21H2,1-3H3;1,3-4,11-12,17,26H,2,5-10,23H2;1-10H,11H2;11,14-15H,4-10H2,1-3H3/t27-,40-;17-;;11-,17-/m11.1/s1
• InChIKey: VXSFPKPCJXFQAN-KEMXKDJVSA-N
• XLogP: 22.49
• TPSA: 180.09 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 18
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1742.70
LogP ≤ 5	22.49
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-2-(2,3-dichlorophenyl)sulfanylpyridin-3-ol;(R)-N-[(4R)-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;5-bromo-2-(2,3-dichlorophenyl)sulfanyl-3-phenylmethoxypyridine;(R)-N-[(4R)-8-[6-(2,3-dichlorophenyl)sulfanyl-5-phenylmethoxy-3-pyridinyl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide?

The IUPAC name of 5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-2-(2,3-dichlorophenyl)sulfanylpyridin-3-ol;(R)-N-[(4R)-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;5-bromo-2-(2,3-dichlorophenyl)sulfanyl-3-phenylmethoxypyridine;(R)-N-[(4R)-8-[6-(2,3-dichlorophenyl)sulfanyl-5-phenylmethoxy-3-pyridinyl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide (CID 161428677) is 5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-2-(2,3-dichlorophenyl)sulfanylpyridin-3-ol;(R)-N-[(4R)-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;5-bromo-2-(2,3-dichlorophenyl)sulfanyl-3-phenylmethoxypyridine;(R)-N-[(4R)-8-[6-(2,3-dichlorophenyl)sulfanyl-5-phenylmethoxy-3-pyridinyl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide.

What is the SMILES notation for 5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-2-(2,3-dichlorophenyl)sulfanylpyridin-3-ol;(R)-N-[(4R)-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;5-bromo-2-(2,3-dichlorophenyl)sulfanyl-3-phenylmethoxypyridine;(R)-N-[(4R)-8-[6-(2,3-dichlorophenyl)sulfanyl-5-phenylmethoxy-3-pyridinyl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide?

The canonical SMILES for 5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-2-(2,3-dichlorophenyl)sulfanylpyridin-3-ol;(R)-N-[(4R)-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;5-bromo-2-(2,3-dichlorophenyl)sulfanyl-3-phenylmethoxypyridine;(R)-N-[(4R)-8-[6-(2,3-dichlorophenyl)sulfanyl-5-phenylmethoxy-3-pyridinyl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)N[C@@H]1CCCC12CCN(c1cnc(Sc3cccc(Cl)c3Cl)c(OCc3ccccc3)c1)CC2.CC(C)(C)[S@@](=O)N[C@@H]1CCCC12CCNCC2.Clc1cccc(Sc2ncc(Br)cc2OCc2ccccc2)c1Cl.N[C@@H]1CCCC12CCN(c1cnc(Sc3cccc(Cl)c3Cl)c(O)c1)CC2.

What is the InChIKey of 5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-2-(2,3-dichlorophenyl)sulfanylpyridin-3-ol;(R)-N-[(4R)-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;5-bromo-2-(2,3-dichlorophenyl)sulfanyl-3-phenylmethoxypyridine;(R)-N-[(4R)-8-[6-(2,3-dichlorophenyl)sulfanyl-5-phenylmethoxy-3-pyridinyl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide?

The InChIKey is VXSFPKPCJXFQAN-KEMXKDJVSA-N. The full InChI is InChI=1S/C31H37Cl2N3O2S2.C20H23Cl2N3OS.C18H12BrCl2NOS.C13H26N2OS/c1-30(2,3)40(37)35-27-13-8-14-31(27)15-17-36(18-16-31)23-19-25(38-21-22-9-5-4-6-10-22)29(34-20-23)39-26-12-7-11-24(32)28(26)33;21-14-3-1-4-16(18(14)22)27-19-15(26)11-13(12-24-19)25-9-7-20(8-10-25)6-2-5-17(20)23;19-13-9-15(23-11-12-5-2-1-3-6-12)18(22-10-13)24-16-8-4-7-14(20)17(16)21;1-12(2,3)17(16)15-11-5-4-6-13(11)7-9-14-10-8-13/h4-7,9-12,19-20,27,35H,8,13-18,21H2,1-3H3;1,3-4,11-12,17,26H,2,5-10,23H2;1-10H,11H2;11,14-15H,4-10H2,1-3H3/t27-,40-;17-;;11-,17-/m11.1/s1.

What are the key properties of 5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-2-(2,3-dichlorophenyl)sulfanylpyridin-3-ol;(R)-N-[(4R)-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;5-bromo-2-(2,3-dichlorophenyl)sulfanyl-3-phenylmethoxypyridine;(R)-N-[(4R)-8-[6-(2,3-dichlorophenyl)sulfanyl-5-phenylmethoxy-3-pyridinyl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide?

5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-2-(2,3-dichlorophenyl)sulfanylpyridin-3-ol;(R)-N-[(4R)-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;5-bromo-2-(2,3-dichlorophenyl)sulfanyl-3-phenylmethoxypyridine;(R)-N-[(4R)-8-[6-(2,3-dichlorophenyl)sulfanyl-5-phenylmethoxy-3-pyridinyl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 1742.70 g/mol, XLogP of 22.49, 18 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-2-(2,3-dichlorophenyl)sulfanylpyridin-3-ol;(R)-N-[(4R)-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;5-bromo-2-(2,3-dichlorophenyl)sulfanyl-3-phenylmethoxypyridine;(R)-N-[(4R)-8-[6-(2,3-dichlorophenyl)sulfanyl-5-phenylmethoxy-3-pyridinyl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 161428677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).