6-(thiolan-3-yl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one

C13H16N2OS2 — CID 103065518

IUPAC6-(thiolan-3-yl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
SMILESO=C1N(C2CCSC2)C(c2cccs2)NC12CC2
InChIInChI=1S/C13H16N2OS2/c16-12-13(4-5-13)14-11(10-2-1-6-18-10)15(12)9-3-7-17-8-9/h1-2,6,9,11,14H,3-5,7-8H2
InChIKeyZCSQKAWAIBXMFO-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.22
Rot. Bonds2

About 6-(thiolan-3-yl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one

6-(thiolan-3-yl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 103065518) has the molecular formula C13H16N2OS2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 6-(thiolan-3-yl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-(thiolan-3-yl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID103065518
Molecular FormulaC13H16N2OS2
Molecular Weight280.42 g/mol
Exact Mass280.07
IUPAC Name6-(thiolan-3-yl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
SMILESO=C1N(C2CCSC2)C(c2cccs2)NC12CC2
InChIInChI=1S/C13H16N2OS2/c16-12-13(4-5-13)14-11(10-2-1-6-18-10)15(12)9-3-7-17-8-9/h1-2,6,9,11,14H,3-5,7-8H2
InChIKeyZCSQKAWAIBXMFO-UHFFFAOYSA-N
XLogP2.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(thiolan-3-yl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-(thiolan-3-yl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one (CID 103065518) is 6-(thiolan-3-yl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-(thiolan-3-yl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-(thiolan-3-yl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one is O=C1N(C2CCSC2)C(c2cccs2)NC12CC2.
What is the InChIKey of 6-(thiolan-3-yl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is ZCSQKAWAIBXMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS2/c16-12-13(4-5-13)14-11(10-2-1-6-18-10)15(12)9-3-7-17-8-9/h1-2,6,9,11,14H,3-5,7-8H2.
What are the key properties of 6-(thiolan-3-yl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one?
6-(thiolan-3-yl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 280.42 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(thiolan-3-yl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 103065518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).