1-(2,2-dioxo-2λ6-thia-9-azaspiro[4.5]decan-9-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone

C16H25N3O3S — CID 146139974

IUPAC1-(2,2-dioxo-2λ6-thia-9-azaspiro[4.5]decan-9-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
SMILESCC(C)n1ccc(CC(=O)N2CCCC3(CCS(=O)(=O)C3)C2)n1
InChIInChI=1S/C16H25N3O3S/c1-13(2)19-8-4-14(17-19)10-15(20)18-7-3-5-16(11-18)6-9-23(21,22)12-16/h4,8,13H,3,5-7,9-12H2,1-2H3
InChIKeyRUBUUZCZUVFPNU-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.43
Rot. Bonds3

About 1-(2,2-dioxo-2λ6-thia-9-azaspiro[4.5]decan-9-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone

1-(2,2-dioxo-2λ6-thia-9-azaspiro[4.5]decan-9-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone (PubChem CID 146139974) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 1-(2,2-dioxo-2λ6-thia-9-azaspiro[4.5]decan-9-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2,2-dioxo-2λ6-thia-9-azaspiro[4.5]decan-9-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
PubChem CID146139974
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name1-(2,2-dioxo-2λ6-thia-9-azaspiro[4.5]decan-9-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
SMILESCC(C)n1ccc(CC(=O)N2CCCC3(CCS(=O)(=O)C3)C2)n1
InChIInChI=1S/C16H25N3O3S/c1-13(2)19-8-4-14(17-19)10-15(20)18-7-3-5-16(11-18)6-9-23(21,22)12-16/h4,8,13H,3,5-7,9-12H2,1-2H3
InChIKeyRUBUUZCZUVFPNU-UHFFFAOYSA-N
XLogP1.43
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dioxo-2λ6-thia-9-azaspiro[4.5]decan-9-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone?
The IUPAC name of 1-(2,2-dioxo-2λ6-thia-9-azaspiro[4.5]decan-9-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone (CID 146139974) is 1-(2,2-dioxo-2λ6-thia-9-azaspiro[4.5]decan-9-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone.
What is the SMILES notation for 1-(2,2-dioxo-2λ6-thia-9-azaspiro[4.5]decan-9-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone?
The canonical SMILES for 1-(2,2-dioxo-2λ6-thia-9-azaspiro[4.5]decan-9-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone is CC(C)n1ccc(CC(=O)N2CCCC3(CCS(=O)(=O)C3)C2)n1.
What is the InChIKey of 1-(2,2-dioxo-2λ6-thia-9-azaspiro[4.5]decan-9-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone?
The InChIKey is RUBUUZCZUVFPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-13(2)19-8-4-14(17-19)10-15(20)18-7-3-5-16(11-18)6-9-23(21,22)12-16/h4,8,13H,3,5-7,9-12H2,1-2H3.
What are the key properties of 1-(2,2-dioxo-2λ6-thia-9-azaspiro[4.5]decan-9-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone?
1-(2,2-dioxo-2λ6-thia-9-azaspiro[4.5]decan-9-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone has a molecular weight of 339.46 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dioxo-2λ6-thia-9-azaspiro[4.5]decan-9-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone is sourced from PubChem (CID 146139974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).