1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)propan-1-one

C10H17NO2S — CID 56764606

IUPAC1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)propan-1-one
SMILESCCC(=O)N1CCC2(CC1)OCCS2
InChIInChI=1S/C10H17NO2S/c1-2-9(12)11-5-3-10(4-6-11)13-7-8-14-10/h2-8H2,1H3
InChIKeyXKHMUQZNMLHLCG-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.48
Rot. Bonds1

About 1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)propan-1-one

1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)propan-1-one (PubChem CID 56764606) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is 1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)propan-1-one.

Molecular Properties

Compound Name1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)propan-1-one
PubChem CID56764606
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Name1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)propan-1-one
SMILESCCC(=O)N1CCC2(CC1)OCCS2
InChIInChI=1S/C10H17NO2S/c1-2-9(12)11-5-3-10(4-6-11)13-7-8-14-10/h2-8H2,1H3
InChIKeyXKHMUQZNMLHLCG-UHFFFAOYSA-N
XLogP1.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)propan-1-one?
The IUPAC name of 1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)propan-1-one (CID 56764606) is 1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)propan-1-one.
What is the SMILES notation for 1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)propan-1-one?
The canonical SMILES for 1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)propan-1-one is CCC(=O)N1CCC2(CC1)OCCS2.
What is the InChIKey of 1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)propan-1-one?
The InChIKey is XKHMUQZNMLHLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c1-2-9(12)11-5-3-10(4-6-11)13-7-8-14-10/h2-8H2,1H3.
What are the key properties of 1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)propan-1-one?
1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)propan-1-one has a molecular weight of 215.32 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)propan-1-one is sourced from PubChem (CID 56764606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).