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

C11H19NO3S — CID 56764609

IUPAC2-ethoxy-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone
SMILESCCOCC(=O)N1CCC2(CC1)OCCS2
InChIInChI=1S/C11H19NO3S/c1-2-14-9-10(13)12-5-3-11(4-6-12)15-7-8-16-11/h2-9H2,1H3
InChIKeyRDHNOUSYQHEKMY-UHFFFAOYSA-N
MW245.34 g/mol
LogP1.11
Rot. Bonds3

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

2-ethoxy-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone (PubChem CID 56764609) has the molecular formula C11H19NO3S and a molecular weight of 245.34 g/mol. Its IUPAC name is 2-ethoxy-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone.

Molecular Properties

Compound Name2-ethoxy-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone
PubChem CID56764609
Molecular FormulaC11H19NO3S
Molecular Weight245.34 g/mol
Exact Mass245.11
IUPAC Name2-ethoxy-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone
SMILESCCOCC(=O)N1CCC2(CC1)OCCS2
InChIInChI=1S/C11H19NO3S/c1-2-14-9-10(13)12-5-3-11(4-6-12)15-7-8-16-11/h2-9H2,1H3
InChIKeyRDHNOUSYQHEKMY-UHFFFAOYSA-N
XLogP1.11
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone?
The IUPAC name of 2-ethoxy-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone (CID 56764609) is 2-ethoxy-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone.
What is the SMILES notation for 2-ethoxy-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone?
The canonical SMILES for 2-ethoxy-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone is CCOCC(=O)N1CCC2(CC1)OCCS2.
What is the InChIKey of 2-ethoxy-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone?
The InChIKey is RDHNOUSYQHEKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3S/c1-2-14-9-10(13)12-5-3-11(4-6-12)15-7-8-16-11/h2-9H2,1H3.
What are the key properties of 2-ethoxy-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone?
2-ethoxy-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone has a molecular weight of 245.34 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone is sourced from PubChem (CID 56764609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).