1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl(thiophen-3-yl)methanone

C12H15NO2S2 — CID 56764614

IUPAC1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl(thiophen-3-yl)methanone
SMILESO=C(c1ccsc1)N1CCC2(CC1)OCCS2
InChIInChI=1S/C12H15NO2S2/c14-11(10-1-7-16-9-10)13-4-2-12(3-5-13)15-6-8-17-12/h1,7,9H,2-6,8H2
InChIKeyVOAGGDUUMKEKBI-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.44
Rot. Bonds1

About 1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl(thiophen-3-yl)methanone

1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl(thiophen-3-yl)methanone (PubChem CID 56764614) has the molecular formula C12H15NO2S2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl(thiophen-3-yl)methanone.

Molecular Properties

Compound Name1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl(thiophen-3-yl)methanone
PubChem CID56764614
Molecular FormulaC12H15NO2S2
Molecular Weight269.39 g/mol
Exact Mass269.05
IUPAC Name1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl(thiophen-3-yl)methanone
SMILESO=C(c1ccsc1)N1CCC2(CC1)OCCS2
InChIInChI=1S/C12H15NO2S2/c14-11(10-1-7-16-9-10)13-4-2-12(3-5-13)15-6-8-17-12/h1,7,9H,2-6,8H2
InChIKeyVOAGGDUUMKEKBI-UHFFFAOYSA-N
XLogP2.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl(thiophen-3-yl)methanone?
The IUPAC name of 1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl(thiophen-3-yl)methanone (CID 56764614) is 1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl(thiophen-3-yl)methanone.
What is the SMILES notation for 1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl(thiophen-3-yl)methanone?
The canonical SMILES for 1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl(thiophen-3-yl)methanone is O=C(c1ccsc1)N1CCC2(CC1)OCCS2.
What is the InChIKey of 1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl(thiophen-3-yl)methanone?
The InChIKey is VOAGGDUUMKEKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2S2/c14-11(10-1-7-16-9-10)13-4-2-12(3-5-13)15-6-8-17-12/h1,7,9H,2-6,8H2.
What are the key properties of 1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl(thiophen-3-yl)methanone?
1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl(thiophen-3-yl)methanone has a molecular weight of 269.39 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl(thiophen-3-yl)methanone is sourced from PubChem (CID 56764614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).