9-(pyridine-2-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one

C18H19N3O2S — CID 118743958

IUPAC9-(pyridine-2-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C(c1ccccn1)N1CCCC2(CCN(c3ccsc3)C2=O)C1
InChIInChI=1S/C18H19N3O2S/c22-16(15-4-1-2-8-19-15)20-9-3-6-18(13-20)7-10-21(17(18)23)14-5-11-24-12-14/h1-2,4-5,8,11-12H,3,6-7,9-10,13H2
InChIKeyGVAOSGWSDQGSNW-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.80
Rot. Bonds2

About 9-(pyridine-2-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one

9-(pyridine-2-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 118743958) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 9-(pyridine-2-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name9-(pyridine-2-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one
PubChem CID118743958
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name9-(pyridine-2-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C(c1ccccn1)N1CCCC2(CCN(c3ccsc3)C2=O)C1
InChIInChI=1S/C18H19N3O2S/c22-16(15-4-1-2-8-19-15)20-9-3-6-18(13-20)7-10-21(17(18)23)14-5-11-24-12-14/h1-2,4-5,8,11-12H,3,6-7,9-10,13H2
InChIKeyGVAOSGWSDQGSNW-UHFFFAOYSA-N
XLogP2.80
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-(pyridine-2-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-(pyridine-2-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 9-(pyridine-2-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one (CID 118743958) is 9-(pyridine-2-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 9-(pyridine-2-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 9-(pyridine-2-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one is O=C(c1ccccn1)N1CCCC2(CCN(c3ccsc3)C2=O)C1.
What is the InChIKey of 9-(pyridine-2-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is GVAOSGWSDQGSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c22-16(15-4-1-2-8-19-15)20-9-3-6-18(13-20)7-10-21(17(18)23)14-5-11-24-12-14/h1-2,4-5,8,11-12H,3,6-7,9-10,13H2.
What are the key properties of 9-(pyridine-2-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one?
9-(pyridine-2-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 341.44 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(pyridine-2-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 118743958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).