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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Related Compounds

8-(2,6-difluoro-4-methylphenyl)sulfanyl-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane
CID 170119547
(4-fluorophenyl)-(3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 131659617
(3R)-8-(5-fluoropyrimidin-2-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane
CID 97385579
1-[8-(2-chloro-4-methylphenyl)sulfanyl-1-oxa-8-azaspiro[4.5]decan-3-yl]-3-methylazetidin-3-ol
CID 170120143
8-[3-cyclobutyl-1-(4-fluorophenyl)pyrazol-4-yl]-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane
CID 138707965
4-chloro-3-[[3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]sulfanyl]benzonitrile
CID 169144219
8-[(4,6-dimethyl-3-pyridinyl)sulfanyl]-3-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-1-oxa-8-azaspiro[4.5]decane
CID 170119738
(3-fluorophenyl)-(3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 134080148
(1-methylpyrrol-2-yl)-[(3S)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97385582
8-(2-chloro-4-methylphenyl)sulfanyl-N-(oxan-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 170120146
8-(4-fluorophenyl)sulfonyl-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxa-8-azaspiro[4.5]decane
CID 169144154
3-(4-methylpiperazin-1-yl)-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decane
CID 134078972

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).