(E)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-3-thiophen-3-ylprop-2-en-1-one

C14H17NO2S2 — CID 56764676

IUPAC(E)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-3-thiophen-3-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccsc1)N1CCC2(CC1)OCCS2
InChIInChI=1S/C14H17NO2S2/c16-13(2-1-12-3-9-18-11-12)15-6-4-14(5-7-15)17-8-10-19-14/h1-3,9,11H,4-8,10H2/b2-1+
InChIKeyIPZSBBBCSRVTSX-OWOJBTEDSA-N
MW295.43 g/mol
LogP2.84
Rot. Bonds2

About (E)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-3-thiophen-3-ylprop-2-en-1-one

(E)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-3-thiophen-3-ylprop-2-en-1-one (PubChem CID 56764676) has the molecular formula C14H17NO2S2 and a molecular weight of 295.43 g/mol. Its IUPAC name is (E)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-3-thiophen-3-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-3-thiophen-3-ylprop-2-en-1-one
PubChem CID56764676
Molecular FormulaC14H17NO2S2
Molecular Weight295.43 g/mol
Exact Mass295.07
IUPAC Name(E)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-3-thiophen-3-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccsc1)N1CCC2(CC1)OCCS2
InChIInChI=1S/C14H17NO2S2/c16-13(2-1-12-3-9-18-11-12)15-6-4-14(5-7-15)17-8-10-19-14/h1-3,9,11H,4-8,10H2/b2-1+
InChIKeyIPZSBBBCSRVTSX-OWOJBTEDSA-N
XLogP2.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-3-thiophen-3-ylprop-2-en-1-one?
The IUPAC name of (E)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-3-thiophen-3-ylprop-2-en-1-one (CID 56764676) is (E)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-3-thiophen-3-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-3-thiophen-3-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-3-thiophen-3-ylprop-2-en-1-one is O=C(/C=C/c1ccsc1)N1CCC2(CC1)OCCS2.
What is the InChIKey of (E)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-3-thiophen-3-ylprop-2-en-1-one?
The InChIKey is IPZSBBBCSRVTSX-OWOJBTEDSA-N. The full InChI is InChI=1S/C14H17NO2S2/c16-13(2-1-12-3-9-18-11-12)15-6-4-14(5-7-15)17-8-10-19-14/h1-3,9,11H,4-8,10H2/b2-1+.
What are the key properties of (E)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-3-thiophen-3-ylprop-2-en-1-one?
(E)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-3-thiophen-3-ylprop-2-en-1-one has a molecular weight of 295.43 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-3-thiophen-3-ylprop-2-en-1-one is sourced from PubChem (CID 56764676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).