(2-fluorophenyl)-(9-oxa-1-azaspiro[4.5]decan-1-yl)methanethione

C15H18FNOS — CID 156503963

IUPAC(2-fluorophenyl)-(9-oxa-1-azaspiro[4.5]decan-1-yl)methanethione
SMILESFc1ccccc1C(=S)N1CCCC12CCCOC2
InChIInChI=1S/C15H18FNOS/c16-13-6-2-1-5-12(13)14(19)17-9-3-7-15(17)8-4-10-18-11-15/h1-2,5-6H,3-4,7-11H2
InChIKeyGPSUFVKIWPPQOD-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.15
Rot. Bonds1

About (2-fluorophenyl)-(9-oxa-1-azaspiro[4.5]decan-1-yl)methanethione

(2-fluorophenyl)-(9-oxa-1-azaspiro[4.5]decan-1-yl)methanethione (PubChem CID 156503963) has the molecular formula C15H18FNOS and a molecular weight of 279.38 g/mol. Its IUPAC name is (2-fluorophenyl)-(9-oxa-1-azaspiro[4.5]decan-1-yl)methanethione.

Molecular Properties

Compound Name(2-fluorophenyl)-(9-oxa-1-azaspiro[4.5]decan-1-yl)methanethione
PubChem CID156503963
Molecular FormulaC15H18FNOS
Molecular Weight279.38 g/mol
Exact Mass279.11
IUPAC Name(2-fluorophenyl)-(9-oxa-1-azaspiro[4.5]decan-1-yl)methanethione
SMILESFc1ccccc1C(=S)N1CCCC12CCCOC2
InChIInChI=1S/C15H18FNOS/c16-13-6-2-1-5-12(13)14(19)17-9-3-7-15(17)8-4-10-18-11-15/h1-2,5-6H,3-4,7-11H2
InChIKeyGPSUFVKIWPPQOD-UHFFFAOYSA-N
XLogP3.15
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-(9-oxa-1-azaspiro[4.5]decan-1-yl)methanethione?
The IUPAC name of (2-fluorophenyl)-(9-oxa-1-azaspiro[4.5]decan-1-yl)methanethione (CID 156503963) is (2-fluorophenyl)-(9-oxa-1-azaspiro[4.5]decan-1-yl)methanethione.
What is the SMILES notation for (2-fluorophenyl)-(9-oxa-1-azaspiro[4.5]decan-1-yl)methanethione?
The canonical SMILES for (2-fluorophenyl)-(9-oxa-1-azaspiro[4.5]decan-1-yl)methanethione is Fc1ccccc1C(=S)N1CCCC12CCCOC2.
What is the InChIKey of (2-fluorophenyl)-(9-oxa-1-azaspiro[4.5]decan-1-yl)methanethione?
The InChIKey is GPSUFVKIWPPQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNOS/c16-13-6-2-1-5-12(13)14(19)17-9-3-7-15(17)8-4-10-18-11-15/h1-2,5-6H,3-4,7-11H2.
What are the key properties of (2-fluorophenyl)-(9-oxa-1-azaspiro[4.5]decan-1-yl)methanethione?
(2-fluorophenyl)-(9-oxa-1-azaspiro[4.5]decan-1-yl)methanethione has a molecular weight of 279.38 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-(9-oxa-1-azaspiro[4.5]decan-1-yl)methanethione is sourced from PubChem (CID 156503963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).