5-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-5-oxo-3-thiophen-2-ylpentanoic acid

C16H21NO4S2 — CID 71798263

IUPAC5-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-5-oxo-3-thiophen-2-ylpentanoic acid
SMILESO=C(O)CC(CC(=O)N1CCC2(CC1)OCCS2)c1cccs1
InChIInChI=1S/C16H21NO4S2/c18-14(10-12(11-15(19)20)13-2-1-8-22-13)17-5-3-16(4-6-17)21-7-9-23-16/h1-2,8,12H,3-7,9-11H2,(H,19,20)
InChIKeyGBPSPWIJGGPUHR-UHFFFAOYSA-N
MW355.48 g/mol
LogP2.78
Rot. Bonds5

About 5-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-5-oxo-3-thiophen-2-ylpentanoic acid

5-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-5-oxo-3-thiophen-2-ylpentanoic acid (PubChem CID 71798263) has the molecular formula C16H21NO4S2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 5-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-5-oxo-3-thiophen-2-ylpentanoic acid.

Molecular Properties

Compound Name5-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-5-oxo-3-thiophen-2-ylpentanoic acid
PubChem CID71798263
Molecular FormulaC16H21NO4S2
Molecular Weight355.48 g/mol
Exact Mass355.09
IUPAC Name5-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-5-oxo-3-thiophen-2-ylpentanoic acid
SMILESO=C(O)CC(CC(=O)N1CCC2(CC1)OCCS2)c1cccs1
InChIInChI=1S/C16H21NO4S2/c18-14(10-12(11-15(19)20)13-2-1-8-22-13)17-5-3-16(4-6-17)21-7-9-23-16/h1-2,8,12H,3-7,9-11H2,(H,19,20)
InChIKeyGBPSPWIJGGPUHR-UHFFFAOYSA-N
XLogP2.78
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-5-oxo-3-thiophen-2-ylpentanoic acid?
The IUPAC name of 5-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-5-oxo-3-thiophen-2-ylpentanoic acid (CID 71798263) is 5-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-5-oxo-3-thiophen-2-ylpentanoic acid.
What is the SMILES notation for 5-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-5-oxo-3-thiophen-2-ylpentanoic acid?
The canonical SMILES for 5-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-5-oxo-3-thiophen-2-ylpentanoic acid is O=C(O)CC(CC(=O)N1CCC2(CC1)OCCS2)c1cccs1.
What is the InChIKey of 5-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-5-oxo-3-thiophen-2-ylpentanoic acid?
The InChIKey is GBPSPWIJGGPUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4S2/c18-14(10-12(11-15(19)20)13-2-1-8-22-13)17-5-3-16(4-6-17)21-7-9-23-16/h1-2,8,12H,3-7,9-11H2,(H,19,20).
What are the key properties of 5-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-5-oxo-3-thiophen-2-ylpentanoic acid?
5-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-5-oxo-3-thiophen-2-ylpentanoic acid has a molecular weight of 355.48 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-5-oxo-3-thiophen-2-ylpentanoic acid is sourced from PubChem (CID 71798263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).