furan-3-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone

C13H16O3S — CID 79921246

IUPACfuran-3-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
SMILESO=C(c1ccoc1)C1CCOC2(CCSC2)C1
InChIInChI=1S/C13H16O3S/c14-12(11-1-4-15-8-11)10-2-5-16-13(7-10)3-6-17-9-13/h1,4,8,10H,2-3,5-7,9H2
InChIKeyHXARQMFWBRTMIQ-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.76
Rot. Bonds2

About furan-3-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone

furan-3-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone (PubChem CID 79921246) has the molecular formula C13H16O3S and a molecular weight of 252.33 g/mol. Its IUPAC name is furan-3-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone.

Molecular Properties

Compound Namefuran-3-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
PubChem CID79921246
Molecular FormulaC13H16O3S
Molecular Weight252.33 g/mol
Exact Mass252.08
IUPAC Namefuran-3-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
SMILESO=C(c1ccoc1)C1CCOC2(CCSC2)C1
InChIInChI=1S/C13H16O3S/c14-12(11-1-4-15-8-11)10-2-5-16-13(7-10)3-6-17-9-13/h1,4,8,10H,2-3,5-7,9H2
InChIKeyHXARQMFWBRTMIQ-UHFFFAOYSA-N
XLogP2.76
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-oxa-2-thiaspiro[4.5]decan-9-yl(pyrimidin-5-yl)methanone
CID 102923198
(3-iodophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 115788182
(4-fluorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 79912433
(3,4-dichlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 81494502
(2-methyl-4-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 106754728
(2,4-difluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 79922329
(2,4-dimethylphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 115788211
(5-ethylthiophen-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 115788169
(4-chloro-2-fluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 79921860
1-benzothiophen-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 115788238
(4-amino-3-chlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 116581898
6-oxa-2-thiaspiro[4.5]decan-9-yl-(1-phenylcyclopropyl)methanone
CID 79908896

Frequently Asked Questions

What is the IUPAC name of furan-3-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone?
The IUPAC name of furan-3-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone (CID 79921246) is furan-3-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone.
What is the SMILES notation for furan-3-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone?
The canonical SMILES for furan-3-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone is O=C(c1ccoc1)C1CCOC2(CCSC2)C1.
What is the InChIKey of furan-3-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone?
The InChIKey is HXARQMFWBRTMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3S/c14-12(11-1-4-15-8-11)10-2-5-16-13(7-10)3-6-17-9-13/h1,4,8,10H,2-3,5-7,9H2.
What are the key properties of furan-3-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone?
furan-3-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone has a molecular weight of 252.33 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone is sourced from PubChem (CID 79921246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).