ethyl 10'-oxospiro[piperidine-4,9'-thioxanthene]-1-carboxylate

C20H21NO3S — CID 22464011

IUPACethyl 10'-oxospiro[piperidine-4,9'-thioxanthene]-1-carboxylate
SMILESCCOC(=O)N1CCC2(CC1)c1ccccc1S(=O)c1ccccc12
InChIInChI=1S/C20H21NO3S/c1-2-24-19(22)21-13-11-20(12-14-21)15-7-3-5-9-17(15)25(23)18-10-6-4-8-16(18)20/h3-10H,2,11-14H2,1H3
InChIKeyRSAIMTPDKSWLTQ-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.71
Rot. Bonds1

About ethyl 10'-oxospiro[piperidine-4,9'-thioxanthene]-1-carboxylate

ethyl 10'-oxospiro[piperidine-4,9'-thioxanthene]-1-carboxylate (PubChem CID 22464011) has the molecular formula C20H21NO3S and a molecular weight of 355.46 g/mol. Its IUPAC name is ethyl 10'-oxospiro[piperidine-4,9'-thioxanthene]-1-carboxylate.

Molecular Properties

Compound Nameethyl 10'-oxospiro[piperidine-4,9'-thioxanthene]-1-carboxylate
PubChem CID22464011
Molecular FormulaC20H21NO3S
Molecular Weight355.46 g/mol
Exact Mass355.12
IUPAC Nameethyl 10'-oxospiro[piperidine-4,9'-thioxanthene]-1-carboxylate
SMILESCCOC(=O)N1CCC2(CC1)c1ccccc1S(=O)c1ccccc12
InChIInChI=1S/C20H21NO3S/c1-2-24-19(22)21-13-11-20(12-14-21)15-7-3-5-9-17(15)25(23)18-10-6-4-8-16(18)20/h3-10H,2,11-14H2,1H3
InChIKeyRSAIMTPDKSWLTQ-UHFFFAOYSA-N
XLogP3.71
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 10'-oxospiro[piperidine-4,9'-thioxanthene]-1-carboxylate?
The IUPAC name of ethyl 10'-oxospiro[piperidine-4,9'-thioxanthene]-1-carboxylate (CID 22464011) is ethyl 10'-oxospiro[piperidine-4,9'-thioxanthene]-1-carboxylate.
What is the SMILES notation for ethyl 10'-oxospiro[piperidine-4,9'-thioxanthene]-1-carboxylate?
The canonical SMILES for ethyl 10'-oxospiro[piperidine-4,9'-thioxanthene]-1-carboxylate is CCOC(=O)N1CCC2(CC1)c1ccccc1S(=O)c1ccccc12.
What is the InChIKey of ethyl 10'-oxospiro[piperidine-4,9'-thioxanthene]-1-carboxylate?
The InChIKey is RSAIMTPDKSWLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3S/c1-2-24-19(22)21-13-11-20(12-14-21)15-7-3-5-9-17(15)25(23)18-10-6-4-8-16(18)20/h3-10H,2,11-14H2,1H3.
What are the key properties of ethyl 10'-oxospiro[piperidine-4,9'-thioxanthene]-1-carboxylate?
ethyl 10'-oxospiro[piperidine-4,9'-thioxanthene]-1-carboxylate has a molecular weight of 355.46 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 10'-oxospiro[piperidine-4,9'-thioxanthene]-1-carboxylate is sourced from PubChem (CID 22464011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).