4-naphthalen-2-yl-1-thia-4-azaspiro[4.5]decan-3-one

C18H19NOS — CID 2238162

IUPAC4-naphthalen-2-yl-1-thia-4-azaspiro[4.5]decan-3-one
SMILESO=C1CSC2(CCCCC2)N1c1ccc2ccccc2c1
InChIInChI=1S/C18H19NOS/c20-17-13-21-18(10-4-1-5-11-18)19(17)16-9-8-14-6-2-3-7-15(14)12-16/h2-3,6-9,12H,1,4-5,10-11,13H2
InChIKeyVXFVHPAYEFZLHR-UHFFFAOYSA-N
MW297.42 g/mol
LogP4.58
Rot. Bonds1

About 4-naphthalen-2-yl-1-thia-4-azaspiro[4.5]decan-3-one

4-naphthalen-2-yl-1-thia-4-azaspiro[4.5]decan-3-one (PubChem CID 2238162) has the molecular formula C18H19NOS and a molecular weight of 297.42 g/mol. Its IUPAC name is 4-naphthalen-2-yl-1-thia-4-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name4-naphthalen-2-yl-1-thia-4-azaspiro[4.5]decan-3-one
PubChem CID2238162
Molecular FormulaC18H19NOS
Molecular Weight297.42 g/mol
Exact Mass297.12
IUPAC Name4-naphthalen-2-yl-1-thia-4-azaspiro[4.5]decan-3-one
SMILESO=C1CSC2(CCCCC2)N1c1ccc2ccccc2c1
InChIInChI=1S/C18H19NOS/c20-17-13-21-18(10-4-1-5-11-18)19(17)16-9-8-14-6-2-3-7-15(14)12-16/h2-3,6-9,12H,1,4-5,10-11,13H2
InChIKeyVXFVHPAYEFZLHR-UHFFFAOYSA-N
XLogP4.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-1-thia-4-azaspiro[4.5]decan-3-one?
The IUPAC name of 4-naphthalen-2-yl-1-thia-4-azaspiro[4.5]decan-3-one (CID 2238162) is 4-naphthalen-2-yl-1-thia-4-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 4-naphthalen-2-yl-1-thia-4-azaspiro[4.5]decan-3-one?
The canonical SMILES for 4-naphthalen-2-yl-1-thia-4-azaspiro[4.5]decan-3-one is O=C1CSC2(CCCCC2)N1c1ccc2ccccc2c1.
What is the InChIKey of 4-naphthalen-2-yl-1-thia-4-azaspiro[4.5]decan-3-one?
The InChIKey is VXFVHPAYEFZLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NOS/c20-17-13-21-18(10-4-1-5-11-18)19(17)16-9-8-14-6-2-3-7-15(14)12-16/h2-3,6-9,12H,1,4-5,10-11,13H2.
What are the key properties of 4-naphthalen-2-yl-1-thia-4-azaspiro[4.5]decan-3-one?
4-naphthalen-2-yl-1-thia-4-azaspiro[4.5]decan-3-one has a molecular weight of 297.42 g/mol, XLogP of 4.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yl-1-thia-4-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 2238162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).