sodium;5-[(1S)-1-[[(R)-tert-butylsulfinyl]amino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-thiolate;(1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(R)-N-[(1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;2,3,4-trichloropyridine;hydrochloride

C74H80Cl8N15NaO2S5 — CID 158892739

About sodium;5-[(1S)-1-[[(R)-tert-butylsulfinyl]amino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-thiolate;(1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(R)-N-[(1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;2,3,4-trichloropyridine;hydrochloride

sodium;5-[(1S)-1-[[(R)-tert-butylsulfinyl]amino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-thiolate;(1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(R)-N-[(1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;2,3,4-trichloropyridine;hydrochloride (PubChem CID 158892739) has the molecular formula C74H80Cl8N15NaO2S5 and a molecular weight of 1678.51 g/mol. Its IUPAC name is sodium;5-[(1S)-1-[[(R)-tert-butylsulfinyl]amino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-thiolate;(1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(R)-N-[(1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;2,3,4-trichloropyridine;hydrochloride.

Molecular Properties

• Compound Name: sodium;5-[(1S)-1-[[(R)-tert-butylsulfinyl]amino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-thiolate;(1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(R)-N-[(1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;2,3,4-trichloropyridine;hydrochloride
• PubChem CID: 158892739
• Molecular Formula: C74H80Cl8N15NaO2S5
• Molecular Weight: 1678.51 g/mol
• Exact Mass: 1673.26
• IUPAC Name: sodium;5-[(1S)-1-[[(R)-tert-butylsulfinyl]amino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-thiolate;(1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(R)-N-[(1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;2,3,4-trichloropyridine;hydrochloride
• SMILES: CC(C)(C)[S@@](=O)N[C@@H]1c2ccccc2CC12CCN(c1cnc(Sc3ccnc(Cl)c3Cl)cn1)CC2.CC(C)(C)[S@@](=O)N[C@@H]1c2ccccc2CC12CCN(c1cnc([S-])cn1)CC2.Cl.Clc1ccnc(Cl)c1Cl.N[C@@H]1c2ccccc2CC12CCN(c1cnc(Sc3ccnc(Cl)c3Cl)cn1)CC2.[Na+]
• InChI: InChI=1S/C26H29Cl2N5OS2.C22H21Cl2N5S.C21H28N4OS2.C5H2Cl3N.ClH.Na/c1-25(2,3)36(34)32-23-18-7-5-4-6-17(18)14-26(23)9-12-33(13-10-26)20-15-31-21(16-30-20)35-19-8-11-29-24(28)22(19)27;23-19-16(5-8-26-21(19)24)30-18-13-27-17(12-28-18)29-9-6-22(7-10-29)11-14-3-1-2-4-15(14)20(22)25;1-20(2,3)28(26)24-19-16-7-5-4-6-15(16)12-21(19)8-10-25(11-9-21)17-13-23-18(27)14-22-17;6-3-1-2-9-5(8)4(3)7;;/h4-8,11,15-16,23,32H,9-10,12-14H2,1-3H3;1-5,8,12-13,20H,6-7,9-11,25H2;4-7,13-14,19,24H,8-12H2,1-3H3,(H,23,27);1-2H;1H;/q;;;;;+1/p-1/t23-,36-;20-;19-,28-;;;/m111.../s1
• InChIKey: HSJNBYHIWVUPRI-CKCBWMAQSA-M
• XLogP: 15.22
• TPSA: 209.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 11
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1678.51
LogP ≤ 5	15.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;5-[(1S)-1-[[(R)-tert-butylsulfinyl]amino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-thiolate;(1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(R)-N-[(1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;2,3,4-trichloropyridine;hydrochloride?

The IUPAC name of sodium;5-[(1S)-1-[[(R)-tert-butylsulfinyl]amino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-thiolate;(1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(R)-N-[(1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;2,3,4-trichloropyridine;hydrochloride (CID 158892739) is sodium;5-[(1S)-1-[[(R)-tert-butylsulfinyl]amino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-thiolate;(1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(R)-N-[(1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;2,3,4-trichloropyridine;hydrochloride.

What is the SMILES notation for sodium;5-[(1S)-1-[[(R)-tert-butylsulfinyl]amino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-thiolate;(1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(R)-N-[(1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;2,3,4-trichloropyridine;hydrochloride?

The canonical SMILES for sodium;5-[(1S)-1-[[(R)-tert-butylsulfinyl]amino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-thiolate;(1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(R)-N-[(1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;2,3,4-trichloropyridine;hydrochloride is CC(C)(C)[S@@](=O)N[C@@H]1c2ccccc2CC12CCN(c1cnc(Sc3ccnc(Cl)c3Cl)cn1)CC2.CC(C)(C)[S@@](=O)N[C@@H]1c2ccccc2CC12CCN(c1cnc([S-])cn1)CC2.Cl.Clc1ccnc(Cl)c1Cl.N[C@@H]1c2ccccc2CC12CCN(c1cnc(Sc3ccnc(Cl)c3Cl)cn1)CC2.[Na+].

What is the InChIKey of sodium;5-[(1S)-1-[[(R)-tert-butylsulfinyl]amino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-thiolate;(1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(R)-N-[(1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;2,3,4-trichloropyridine;hydrochloride?

The InChIKey is HSJNBYHIWVUPRI-CKCBWMAQSA-M. The full InChI is InChI=1S/C26H29Cl2N5OS2.C22H21Cl2N5S.C21H28N4OS2.C5H2Cl3N.ClH.Na/c1-25(2,3)36(34)32-23-18-7-5-4-6-17(18)14-26(23)9-12-33(13-10-26)20-15-31-21(16-30-20)35-19-8-11-29-24(28)22(19)27;23-19-16(5-8-26-21(19)24)30-18-13-27-17(12-28-18)29-9-6-22(7-10-29)11-14-3-1-2-4-15(14)20(22)25;1-20(2,3)28(26)24-19-16-7-5-4-6-15(16)12-21(19)8-10-25(11-9-21)17-13-23-18(27)14-22-17;6-3-1-2-9-5(8)4(3)7;;/h4-8,11,15-16,23,32H,9-10,12-14H2,1-3H3;1-5,8,12-13,20H,6-7,9-11,25H2;4-7,13-14,19,24H,8-12H2,1-3H3,(H,23,27);1-2H;1H;/q;;;;;+1/p-1/t23-,36-;20-;19-,28-;;;/m111.../s1.

What are the key properties of sodium;5-[(1S)-1-[[(R)-tert-butylsulfinyl]amino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-thiolate;(1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(R)-N-[(1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;2,3,4-trichloropyridine;hydrochloride?

sodium;5-[(1S)-1-[[(R)-tert-butylsulfinyl]amino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-thiolate;(1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(R)-N-[(1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;2,3,4-trichloropyridine;hydrochloride has a molecular weight of 1678.51 g/mol, XLogP of 15.22, 11 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;5-[(1S)-1-[[(R)-tert-butylsulfinyl]amino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-thiolate;(1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(R)-N-[(1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;2,3,4-trichloropyridine;hydrochloride is sourced from PubChem (CID 158892739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).