9-(2-thiophen-2-ylacetyl)-1,9-diazaspiro[4.5]decan-2-one

C14H18N2O2S — CID 118738735

IUPAC9-(2-thiophen-2-ylacetyl)-1,9-diazaspiro[4.5]decan-2-one
SMILESO=C1CCC2(CCCN(C(=O)Cc3cccs3)C2)N1
InChIInChI=1S/C14H18N2O2S/c17-12-4-6-14(15-12)5-2-7-16(10-14)13(18)9-11-3-1-8-19-11/h1,3,8H,2,4-7,9-10H2,(H,15,17)
InChIKeyJXIVYJPCKHCUPL-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.56
Rot. Bonds2

About 9-(2-thiophen-2-ylacetyl)-1,9-diazaspiro[4.5]decan-2-one

9-(2-thiophen-2-ylacetyl)-1,9-diazaspiro[4.5]decan-2-one (PubChem CID 118738735) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 9-(2-thiophen-2-ylacetyl)-1,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name9-(2-thiophen-2-ylacetyl)-1,9-diazaspiro[4.5]decan-2-one
PubChem CID118738735
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name9-(2-thiophen-2-ylacetyl)-1,9-diazaspiro[4.5]decan-2-one
SMILESO=C1CCC2(CCCN(C(=O)Cc3cccs3)C2)N1
InChIInChI=1S/C14H18N2O2S/c17-12-4-6-14(15-12)5-2-7-16(10-14)13(18)9-11-3-1-8-19-11/h1,3,8H,2,4-7,9-10H2,(H,15,17)
InChIKeyJXIVYJPCKHCUPL-UHFFFAOYSA-N
XLogP1.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9-(2-thiophen-2-ylacetyl)-1,9-diazaspiro[4.5]decan-2-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-(2-thiophen-2-ylacetyl)-1,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of 9-(2-thiophen-2-ylacetyl)-1,9-diazaspiro[4.5]decan-2-one (CID 118738735) is 9-(2-thiophen-2-ylacetyl)-1,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 9-(2-thiophen-2-ylacetyl)-1,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 9-(2-thiophen-2-ylacetyl)-1,9-diazaspiro[4.5]decan-2-one is O=C1CCC2(CCCN(C(=O)Cc3cccs3)C2)N1.
What is the InChIKey of 9-(2-thiophen-2-ylacetyl)-1,9-diazaspiro[4.5]decan-2-one?
The InChIKey is JXIVYJPCKHCUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c17-12-4-6-14(15-12)5-2-7-16(10-14)13(18)9-11-3-1-8-19-11/h1,3,8H,2,4-7,9-10H2,(H,15,17).
What are the key properties of 9-(2-thiophen-2-ylacetyl)-1,9-diazaspiro[4.5]decan-2-one?
9-(2-thiophen-2-ylacetyl)-1,9-diazaspiro[4.5]decan-2-one has a molecular weight of 278.38 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-thiophen-2-ylacetyl)-1,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 118738735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).