3-thiophen-2-yl-1,4-diazaspiro[4.5]dec-3-en-2-one

C12H14N2OS — CID 22424916

IUPAC3-thiophen-2-yl-1,4-diazaspiro[4.5]dec-3-en-2-one
SMILESO=C1NC2(CCCCC2)N=C1c1cccs1
InChIInChI=1S/C12H14N2OS/c15-11-10(9-5-4-8-16-9)13-12(14-11)6-2-1-3-7-12/h4-5,8H,1-3,6-7H2,(H,14,15)
InChIKeyINLNKWKKHLPLOS-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.33
Rot. Bonds1

About 3-thiophen-2-yl-1,4-diazaspiro[4.5]dec-3-en-2-one

3-thiophen-2-yl-1,4-diazaspiro[4.5]dec-3-en-2-one (PubChem CID 22424916) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 3-thiophen-2-yl-1,4-diazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name3-thiophen-2-yl-1,4-diazaspiro[4.5]dec-3-en-2-one
PubChem CID22424916
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name3-thiophen-2-yl-1,4-diazaspiro[4.5]dec-3-en-2-one
SMILESO=C1NC2(CCCCC2)N=C1c1cccs1
InChIInChI=1S/C12H14N2OS/c15-11-10(9-5-4-8-16-9)13-12(14-11)6-2-1-3-7-12/h4-5,8H,1-3,6-7H2,(H,14,15)
InChIKeyINLNKWKKHLPLOS-UHFFFAOYSA-N
XLogP2.33
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-yl-1,4-diazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 3-thiophen-2-yl-1,4-diazaspiro[4.5]dec-3-en-2-one (CID 22424916) is 3-thiophen-2-yl-1,4-diazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 3-thiophen-2-yl-1,4-diazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 3-thiophen-2-yl-1,4-diazaspiro[4.5]dec-3-en-2-one is O=C1NC2(CCCCC2)N=C1c1cccs1.
What is the InChIKey of 3-thiophen-2-yl-1,4-diazaspiro[4.5]dec-3-en-2-one?
The InChIKey is INLNKWKKHLPLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c15-11-10(9-5-4-8-16-9)13-12(14-11)6-2-1-3-7-12/h4-5,8H,1-3,6-7H2,(H,14,15).
What are the key properties of 3-thiophen-2-yl-1,4-diazaspiro[4.5]dec-3-en-2-one?
3-thiophen-2-yl-1,4-diazaspiro[4.5]dec-3-en-2-one has a molecular weight of 234.32 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-yl-1,4-diazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 22424916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).