8-(2,5-difluorophenyl)sulfanyl-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane

C18H24F2N2O2S — CID 170119558

IUPAC8-(2,5-difluorophenyl)sulfanyl-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane
SMILESFc1ccc(F)c(SN2CCC3(CC2)CC(N2CCOCC2)CO3)c1
InChIInChI=1S/C18H24F2N2O2S/c19-14-1-2-16(20)17(11-14)25-22-5-3-18(4-6-22)12-15(13-24-18)21-7-9-23-10-8-21/h1-2,11,15H,3-10,12-13H2
InChIKeyNJVINMWCVJQTES-UHFFFAOYSA-N
MW370.47 g/mol
LogP2.93
Rot. Bonds3

About 8-(2,5-difluorophenyl)sulfanyl-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane

8-(2,5-difluorophenyl)sulfanyl-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane (PubChem CID 170119558) has the molecular formula C18H24F2N2O2S and a molecular weight of 370.47 g/mol. Its IUPAC name is 8-(2,5-difluorophenyl)sulfanyl-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(2,5-difluorophenyl)sulfanyl-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane
PubChem CID170119558
Molecular FormulaC18H24F2N2O2S
Molecular Weight370.47 g/mol
Exact Mass370.15
IUPAC Name8-(2,5-difluorophenyl)sulfanyl-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane
SMILESFc1ccc(F)c(SN2CCC3(CC2)CC(N2CCOCC2)CO3)c1
InChIInChI=1S/C18H24F2N2O2S/c19-14-1-2-16(20)17(11-14)25-22-5-3-18(4-6-22)12-15(13-24-18)21-7-9-23-10-8-21/h1-2,11,15H,3-10,12-13H2
InChIKeyNJVINMWCVJQTES-UHFFFAOYSA-N
XLogP2.93
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(2,5-difluorophenyl)sulfanyl-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(2,5-difluorophenyl)sulfanyl-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane (CID 170119558) is 8-(2,5-difluorophenyl)sulfanyl-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(2,5-difluorophenyl)sulfanyl-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(2,5-difluorophenyl)sulfanyl-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane is Fc1ccc(F)c(SN2CCC3(CC2)CC(N2CCOCC2)CO3)c1.
What is the InChIKey of 8-(2,5-difluorophenyl)sulfanyl-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is NJVINMWCVJQTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N2O2S/c19-14-1-2-16(20)17(11-14)25-22-5-3-18(4-6-22)12-15(13-24-18)21-7-9-23-10-8-21/h1-2,11,15H,3-10,12-13H2.
What are the key properties of 8-(2,5-difluorophenyl)sulfanyl-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane?
8-(2,5-difluorophenyl)sulfanyl-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 370.47 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,5-difluorophenyl)sulfanyl-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 170119558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).