4-(4-methoxyphenyl)-1-thia-4-azaspiro[4.5]decan-3-one

C15H19NO2S — CID 753453

IUPAC4-(4-methoxyphenyl)-1-thia-4-azaspiro[4.5]decan-3-one
SMILESCOc1ccc(N2C(=O)CSC23CCCCC3)cc1
InChIInChI=1S/C15H19NO2S/c1-18-13-7-5-12(6-8-13)16-14(17)11-19-15(16)9-3-2-4-10-15/h5-8H,2-4,9-11H2,1H3
InChIKeyHOXYXKQZSIGGDI-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.44
Rot. Bonds2

About 4-(4-methoxyphenyl)-1-thia-4-azaspiro[4.5]decan-3-one

4-(4-methoxyphenyl)-1-thia-4-azaspiro[4.5]decan-3-one (PubChem CID 753453) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-1-thia-4-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-1-thia-4-azaspiro[4.5]decan-3-one
PubChem CID753453
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name4-(4-methoxyphenyl)-1-thia-4-azaspiro[4.5]decan-3-one
SMILESCOc1ccc(N2C(=O)CSC23CCCCC3)cc1
InChIInChI=1S/C15H19NO2S/c1-18-13-7-5-12(6-8-13)16-14(17)11-19-15(16)9-3-2-4-10-15/h5-8H,2-4,9-11H2,1H3
InChIKeyHOXYXKQZSIGGDI-UHFFFAOYSA-N
XLogP3.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-1-thia-4-azaspiro[4.5]decan-3-one?
The IUPAC name of 4-(4-methoxyphenyl)-1-thia-4-azaspiro[4.5]decan-3-one (CID 753453) is 4-(4-methoxyphenyl)-1-thia-4-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 4-(4-methoxyphenyl)-1-thia-4-azaspiro[4.5]decan-3-one?
The canonical SMILES for 4-(4-methoxyphenyl)-1-thia-4-azaspiro[4.5]decan-3-one is COc1ccc(N2C(=O)CSC23CCCCC3)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-1-thia-4-azaspiro[4.5]decan-3-one?
The InChIKey is HOXYXKQZSIGGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-18-13-7-5-12(6-8-13)16-14(17)11-19-15(16)9-3-2-4-10-15/h5-8H,2-4,9-11H2,1H3.
What are the key properties of 4-(4-methoxyphenyl)-1-thia-4-azaspiro[4.5]decan-3-one?
4-(4-methoxyphenyl)-1-thia-4-azaspiro[4.5]decan-3-one has a molecular weight of 277.39 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-1-thia-4-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 753453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).