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

C19H21NO2S — CID 90510652

IUPAC2-naphthalen-1-yl-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone
SMILESO=C(Cc1cccc2ccccc12)N1CCC2(CC1)OCCS2
InChIInChI=1S/C19H21NO2S/c21-18(20-10-8-19(9-11-20)22-12-13-23-19)14-16-6-3-5-15-4-1-2-7-17(15)16/h1-7H,8-14H2
InChIKeyVVJLBAHZDFAZGB-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.46
Rot. Bonds2

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

2-naphthalen-1-yl-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone (PubChem CID 90510652) has the molecular formula C19H21NO2S and a molecular weight of 327.45 g/mol. Its IUPAC name is 2-naphthalen-1-yl-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone.

Molecular Properties

Compound Name2-naphthalen-1-yl-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone
PubChem CID90510652
Molecular FormulaC19H21NO2S
Molecular Weight327.45 g/mol
Exact Mass327.13
IUPAC Name2-naphthalen-1-yl-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone
SMILESO=C(Cc1cccc2ccccc12)N1CCC2(CC1)OCCS2
InChIInChI=1S/C19H21NO2S/c21-18(20-10-8-19(9-11-20)22-12-13-23-19)14-16-6-3-5-15-4-1-2-7-17(15)16/h1-7H,8-14H2
InChIKeyVVJLBAHZDFAZGB-UHFFFAOYSA-N
XLogP3.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone?
The IUPAC name of 2-naphthalen-1-yl-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone (CID 90510652) is 2-naphthalen-1-yl-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone.
What is the SMILES notation for 2-naphthalen-1-yl-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone?
The canonical SMILES for 2-naphthalen-1-yl-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone is O=C(Cc1cccc2ccccc12)N1CCC2(CC1)OCCS2.
What is the InChIKey of 2-naphthalen-1-yl-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone?
The InChIKey is VVJLBAHZDFAZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2S/c21-18(20-10-8-19(9-11-20)22-12-13-23-19)14-16-6-3-5-15-4-1-2-7-17(15)16/h1-7H,8-14H2.
What are the key properties of 2-naphthalen-1-yl-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone?
2-naphthalen-1-yl-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone has a molecular weight of 327.45 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone is sourced from PubChem (CID 90510652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).