tert-butyl-[[(6S)-2-(difluoromethyl)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]amino]-oxidosulfanium

C15H23F2N3OS2 — CID 175736614

About tert-butyl-[[(6S)-2-(difluoromethyl)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]amino]-oxidosulfanium

tert-butyl-[[(6S)-2-(difluoromethyl)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]amino]-oxidosulfanium (PubChem CID 175736614) has the molecular formula C15H23F2N3OS2 and a molecular weight of 363.50 g/mol. Its IUPAC name is tert-butyl-[[(6S)-2-(difluoromethyl)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]amino]-oxidosulfanium.

Molecular Properties

• Compound Name: tert-butyl-[[(6S)-2-(difluoromethyl)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]amino]-oxidosulfanium
• PubChem CID: 175736614
• Molecular Formula: C15H23F2N3OS2
• Molecular Weight: 363.50 g/mol
• Exact Mass: 363.13
• IUPAC Name: tert-butyl-[[(6S)-2-(difluoromethyl)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]amino]-oxidosulfanium
• SMILES: CC(C)(C)[S+]([O-])N[C@@H]1c2sc(C(F)F)nc2CC12CCNCC2
• InChI: InChI=1S/C15H23F2N3OS2/c1-14(2,3)23(21)20-11-10-9(19-13(22-10)12(16)17)8-15(11)4-6-18-7-5-15/h11-12,18,20H,4-8H2,1-3H3/t11-,23?/m1/s1
• InChIKey: DAFKSALAUZOELW-YBSXLYEGSA-N
• XLogP: 3.10
• TPSA: 60.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.50
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(6S)-2-(difluoromethyl)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]amino]-oxidosulfanium?

The IUPAC name of tert-butyl-[[(6S)-2-(difluoromethyl)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]amino]-oxidosulfanium (CID 175736614) is tert-butyl-[[(6S)-2-(difluoromethyl)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]amino]-oxidosulfanium.

What is the SMILES notation for tert-butyl-[[(6S)-2-(difluoromethyl)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]amino]-oxidosulfanium?

The canonical SMILES for tert-butyl-[[(6S)-2-(difluoromethyl)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]amino]-oxidosulfanium is CC(C)(C)[S+]([O-])N[C@@H]1c2sc(C(F)F)nc2CC12CCNCC2.

What is the InChIKey of tert-butyl-[[(6S)-2-(difluoromethyl)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]amino]-oxidosulfanium?

The InChIKey is DAFKSALAUZOELW-YBSXLYEGSA-N. The full InChI is InChI=1S/C15H23F2N3OS2/c1-14(2,3)23(21)20-11-10-9(19-13(22-10)12(16)17)8-15(11)4-6-18-7-5-15/h11-12,18,20H,4-8H2,1-3H3/t11-,23?/m1/s1.

What are the key properties of tert-butyl-[[(6S)-2-(difluoromethyl)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]amino]-oxidosulfanium?

tert-butyl-[[(6S)-2-(difluoromethyl)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]amino]-oxidosulfanium has a molecular weight of 363.50 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[[(6S)-2-(difluoromethyl)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]amino]-oxidosulfanium is sourced from PubChem (CID 175736614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).