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

C18H25NO2S2 — CID 56764664

IUPAC1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-2-(4-propan-2-ylsulfanylphenyl)ethanone
SMILESCC(C)Sc1ccc(CC(=O)N2CCC3(CC2)OCCS3)cc1
InChIInChI=1S/C18H25NO2S2/c1-14(2)23-16-5-3-15(4-6-16)13-17(20)19-9-7-18(8-10-19)21-11-12-22-18/h3-6,14H,7-13H2,1-2H3
InChIKeyORGRCWNLKOZEOQ-UHFFFAOYSA-N
MW351.54 g/mol
LogP3.81
Rot. Bonds4

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

1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-2-(4-propan-2-ylsulfanylphenyl)ethanone (PubChem CID 56764664) has the molecular formula C18H25NO2S2 and a molecular weight of 351.54 g/mol. Its IUPAC name is 1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-2-(4-propan-2-ylsulfanylphenyl)ethanone.

Molecular Properties

Compound Name1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-2-(4-propan-2-ylsulfanylphenyl)ethanone
PubChem CID56764664
Molecular FormulaC18H25NO2S2
Molecular Weight351.54 g/mol
Exact Mass351.13
IUPAC Name1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-2-(4-propan-2-ylsulfanylphenyl)ethanone
SMILESCC(C)Sc1ccc(CC(=O)N2CCC3(CC2)OCCS3)cc1
InChIInChI=1S/C18H25NO2S2/c1-14(2)23-16-5-3-15(4-6-16)13-17(20)19-9-7-18(8-10-19)21-11-12-22-18/h3-6,14H,7-13H2,1-2H3
InChIKeyORGRCWNLKOZEOQ-UHFFFAOYSA-N
XLogP3.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.54
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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)-2-(4-propan-2-ylsulfanylphenyl)ethanone?
The IUPAC name of 1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-2-(4-propan-2-ylsulfanylphenyl)ethanone (CID 56764664) is 1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-2-(4-propan-2-ylsulfanylphenyl)ethanone.
What is the SMILES notation for 1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-2-(4-propan-2-ylsulfanylphenyl)ethanone?
The canonical SMILES for 1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-2-(4-propan-2-ylsulfanylphenyl)ethanone is CC(C)Sc1ccc(CC(=O)N2CCC3(CC2)OCCS3)cc1.
What is the InChIKey of 1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-2-(4-propan-2-ylsulfanylphenyl)ethanone?
The InChIKey is ORGRCWNLKOZEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2S2/c1-14(2)23-16-5-3-15(4-6-16)13-17(20)19-9-7-18(8-10-19)21-11-12-22-18/h3-6,14H,7-13H2,1-2H3.
What are the key properties of 1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-2-(4-propan-2-ylsulfanylphenyl)ethanone?
1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-2-(4-propan-2-ylsulfanylphenyl)ethanone has a molecular weight of 351.54 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-2-(4-propan-2-ylsulfanylphenyl)ethanone is sourced from PubChem (CID 56764664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).