2-(4-fluorophenyl)sulfanyl-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone

C15H18FNO2S2 — CID 56764649

IUPAC2-(4-fluorophenyl)sulfanyl-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone
SMILESO=C(CSc1ccc(F)cc1)N1CCC2(CC1)OCCS2
InChIInChI=1S/C15H18FNO2S2/c16-12-1-3-13(4-2-12)20-11-14(18)17-7-5-15(6-8-17)19-9-10-21-15/h1-4H,5-11H2
InChIKeyKPRHVUPCADPZJL-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.00
Rot. Bonds3

About 2-(4-fluorophenyl)sulfanyl-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone

2-(4-fluorophenyl)sulfanyl-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone (PubChem CID 56764649) has the molecular formula C15H18FNO2S2 and a molecular weight of 327.45 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone
PubChem CID56764649
Molecular FormulaC15H18FNO2S2
Molecular Weight327.45 g/mol
Exact Mass327.08
IUPAC Name2-(4-fluorophenyl)sulfanyl-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone
SMILESO=C(CSc1ccc(F)cc1)N1CCC2(CC1)OCCS2
InChIInChI=1S/C15H18FNO2S2/c16-12-1-3-13(4-2-12)20-11-14(18)17-7-5-15(6-8-17)19-9-10-21-15/h1-4H,5-11H2
InChIKeyKPRHVUPCADPZJL-UHFFFAOYSA-N
XLogP3.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(Phenylthio)propanoyl]morpholine
CID 875838
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CID 1486398
2-[(4-Fluorophenyl)sulfinyl]-1-(4-morpholinyl)ethanone
CID 3347399
AC1Lgqzx
CID 875426
8-[(Phenylthio)acetyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 1247113
1-(2,6-Dimethylmorpholin-4-yl)-2-phenylsulfanylethanone
CID 4387420
2-(4-fluorophenyl)sulfanyl-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 51072581
2-(4-Fluorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 2200156
2-((4-fluorophenyl)thio)-N-(tetrahydro-2H-pyran-4-yl)-N-(2-(thiophen-2-yl)ethyl)acetamide
CID 76147280
2-((4-Fluorophenyl)thio)-1-(4-(methylsulfonyl)piperidin-1-yl)ethanone
CID 86264206
2-(p-fluorophenylthio)-1-[(S)-3-(methylthio)-1-pyrrolidinyl]-1-ethanone
CID 97427187
3-(Phenylthio)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)propan-1-one
CID 56764648

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone (CID 56764649) is 2-(4-fluorophenyl)sulfanyl-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone is O=C(CSc1ccc(F)cc1)N1CCC2(CC1)OCCS2.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone?
The InChIKey is KPRHVUPCADPZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2S2/c16-12-1-3-13(4-2-12)20-11-14(18)17-7-5-15(6-8-17)19-9-10-21-15/h1-4H,5-11H2.
What are the key properties of 2-(4-fluorophenyl)sulfanyl-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone?
2-(4-fluorophenyl)sulfanyl-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone has a molecular weight of 327.45 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone is sourced from PubChem (CID 56764649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).