9-pyridin-2-yl-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one

C17H19N3OS — CID 118740792

IUPAC9-pyridin-2-yl-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(c2ccsc2)CCC12CCCN(c1ccccn1)C2
InChIInChI=1S/C17H19N3OS/c21-16-17(7-10-20(16)14-5-11-22-12-14)6-3-9-19(13-17)15-4-1-2-8-18-15/h1-2,4-5,8,11-12H,3,6-7,9-10,13H2
InChIKeyVNLVPXMDSVHGGU-UHFFFAOYSA-N
MW313.43 g/mol
LogP3.17
Rot. Bonds2

About 9-pyridin-2-yl-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one

9-pyridin-2-yl-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 118740792) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is 9-pyridin-2-yl-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name9-pyridin-2-yl-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one
PubChem CID118740792
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name9-pyridin-2-yl-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(c2ccsc2)CCC12CCCN(c1ccccn1)C2
InChIInChI=1S/C17H19N3OS/c21-16-17(7-10-20(16)14-5-11-22-12-14)6-3-9-19(13-17)15-4-1-2-8-18-15/h1-2,4-5,8,11-12H,3,6-7,9-10,13H2
InChIKeyVNLVPXMDSVHGGU-UHFFFAOYSA-N
XLogP3.17
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-pyridin-2-yl-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 9-pyridin-2-yl-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one (CID 118740792) is 9-pyridin-2-yl-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 9-pyridin-2-yl-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 9-pyridin-2-yl-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one is O=C1N(c2ccsc2)CCC12CCCN(c1ccccn1)C2.
What is the InChIKey of 9-pyridin-2-yl-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is VNLVPXMDSVHGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c21-16-17(7-10-20(16)14-5-11-22-12-14)6-3-9-19(13-17)15-4-1-2-8-18-15/h1-2,4-5,8,11-12H,3,6-7,9-10,13H2.
What are the key properties of 9-pyridin-2-yl-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one?
9-pyridin-2-yl-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 313.43 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-pyridin-2-yl-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 118740792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).