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

C14H23NO2S — CID 90510592

IUPAC2-cyclopentyl-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone
SMILESO=C(CC1CCCC1)N1CCC2(CC1)OCCS2
InChIInChI=1S/C14H23NO2S/c16-13(11-12-3-1-2-4-12)15-7-5-14(6-8-15)17-9-10-18-14/h12H,1-11H2
InChIKeyATUVMWSEZLQLKZ-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.65
Rot. Bonds2

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

2-cyclopentyl-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone (PubChem CID 90510592) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 2-cyclopentyl-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone
PubChem CID90510592
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name2-cyclopentyl-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone
SMILESO=C(CC1CCCC1)N1CCC2(CC1)OCCS2
InChIInChI=1S/C14H23NO2S/c16-13(11-12-3-1-2-4-12)15-7-5-14(6-8-15)17-9-10-18-14/h12H,1-11H2
InChIKeyATUVMWSEZLQLKZ-UHFFFAOYSA-N
XLogP2.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone?
The IUPAC name of 2-cyclopentyl-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone (CID 90510592) is 2-cyclopentyl-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone.
What is the SMILES notation for 2-cyclopentyl-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone?
The canonical SMILES for 2-cyclopentyl-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone is O=C(CC1CCCC1)N1CCC2(CC1)OCCS2.
What is the InChIKey of 2-cyclopentyl-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone?
The InChIKey is ATUVMWSEZLQLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c16-13(11-12-3-1-2-4-12)15-7-5-14(6-8-15)17-9-10-18-14/h12H,1-11H2.
What are the key properties of 2-cyclopentyl-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone?
2-cyclopentyl-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone has a molecular weight of 269.41 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone is sourced from PubChem (CID 90510592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).