spiro[piperidine-4,9'-thioxanthene]

C17H17NS — CID 22464014

IUPACspiro[piperidine-4,9'-thioxanthene]
SMILESc1ccc2c(c1)Sc1ccccc1C21CCNCC1
InChIInChI=1S/C17H17NS/c1-3-7-15-13(5-1)17(9-11-18-12-10-17)14-6-2-4-8-16(14)19-15/h1-8,18H,9-12H2
InChIKeyLBIISXGOGWTZLZ-UHFFFAOYSA-N
MW267.40 g/mol
LogP3.82
Rot. Bonds

About spiro[piperidine-4,9'-thioxanthene]

spiro[piperidine-4,9'-thioxanthene] (PubChem CID 22464014) has the molecular formula C17H17NS and a molecular weight of 267.40 g/mol. Its IUPAC name is spiro[piperidine-4,9'-thioxanthene].

Molecular Properties

Compound Namespiro[piperidine-4,9'-thioxanthene]
PubChem CID22464014
Molecular FormulaC17H17NS
Molecular Weight267.40 g/mol
Exact Mass267.11
IUPAC Namespiro[piperidine-4,9'-thioxanthene]
SMILESc1ccc2c(c1)Sc1ccccc1C21CCNCC1
InChIInChI=1S/C17H17NS/c1-3-7-15-13(5-1)17(9-11-18-12-10-17)14-6-2-4-8-16(14)19-15/h1-8,18H,9-12H2
InChIKeyLBIISXGOGWTZLZ-UHFFFAOYSA-N
XLogP3.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[piperidine-4,9'-thioxanthene]?
The IUPAC name of spiro[piperidine-4,9'-thioxanthene] (CID 22464014) is spiro[piperidine-4,9'-thioxanthene].
What is the SMILES notation for spiro[piperidine-4,9'-thioxanthene]?
The canonical SMILES for spiro[piperidine-4,9'-thioxanthene] is c1ccc2c(c1)Sc1ccccc1C21CCNCC1.
What is the InChIKey of spiro[piperidine-4,9'-thioxanthene]?
The InChIKey is LBIISXGOGWTZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NS/c1-3-7-15-13(5-1)17(9-11-18-12-10-17)14-6-2-4-8-16(14)19-15/h1-8,18H,9-12H2.
What are the key properties of spiro[piperidine-4,9'-thioxanthene]?
spiro[piperidine-4,9'-thioxanthene] has a molecular weight of 267.40 g/mol, XLogP of 3.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[piperidine-4,9'-thioxanthene] is sourced from PubChem (CID 22464014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).