1-methylspiro[piperidine-4,9'-thioxanthene] 10',10'-dioxide

C18H19NO2S — CID 22463940

IUPAC1-methylspiro[piperidine-4,9'-thioxanthene] 10',10'-dioxide
SMILESCN1CCC2(CC1)c1ccccc1S(=O)(=O)c1ccccc12
InChIInChI=1S/C18H19NO2S/c1-19-12-10-18(11-13-19)14-6-2-4-8-16(14)22(20,21)17-9-5-3-7-15(17)18/h2-9H,10-13H2,1H3
InChIKeyUNWZEKUABATFRD-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.84
Rot. Bonds

About 1-methylspiro[piperidine-4,9'-thioxanthene] 10',10'-dioxide

1-methylspiro[piperidine-4,9'-thioxanthene] 10',10'-dioxide (PubChem CID 22463940) has the molecular formula C18H19NO2S and a molecular weight of 313.42 g/mol. Its IUPAC name is 1-methylspiro[piperidine-4,9'-thioxanthene] 10',10'-dioxide.

Molecular Properties

Compound Name1-methylspiro[piperidine-4,9'-thioxanthene] 10',10'-dioxide
PubChem CID22463940
Molecular FormulaC18H19NO2S
Molecular Weight313.42 g/mol
Exact Mass313.11
IUPAC Name1-methylspiro[piperidine-4,9'-thioxanthene] 10',10'-dioxide
SMILESCN1CCC2(CC1)c1ccccc1S(=O)(=O)c1ccccc12
InChIInChI=1S/C18H19NO2S/c1-19-12-10-18(11-13-19)14-6-2-4-8-16(14)22(20,21)17-9-5-3-7-15(17)18/h2-9H,10-13H2,1H3
InChIKeyUNWZEKUABATFRD-UHFFFAOYSA-N
XLogP2.84
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methylspiro[piperidine-4,9'-thioxanthene] 10',10'-dioxide?
The IUPAC name of 1-methylspiro[piperidine-4,9'-thioxanthene] 10',10'-dioxide (CID 22463940) is 1-methylspiro[piperidine-4,9'-thioxanthene] 10',10'-dioxide.
What is the SMILES notation for 1-methylspiro[piperidine-4,9'-thioxanthene] 10',10'-dioxide?
The canonical SMILES for 1-methylspiro[piperidine-4,9'-thioxanthene] 10',10'-dioxide is CN1CCC2(CC1)c1ccccc1S(=O)(=O)c1ccccc12.
What is the InChIKey of 1-methylspiro[piperidine-4,9'-thioxanthene] 10',10'-dioxide?
The InChIKey is UNWZEKUABATFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2S/c1-19-12-10-18(11-13-19)14-6-2-4-8-16(14)22(20,21)17-9-5-3-7-15(17)18/h2-9H,10-13H2,1H3.
What are the key properties of 1-methylspiro[piperidine-4,9'-thioxanthene] 10',10'-dioxide?
1-methylspiro[piperidine-4,9'-thioxanthene] 10',10'-dioxide has a molecular weight of 313.42 g/mol, XLogP of 2.84, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylspiro[piperidine-4,9'-thioxanthene] 10',10'-dioxide is sourced from PubChem (CID 22463940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).