2-[[(2R)-oxolan-2-yl]methyl]-8-(3-thiophen-3-ylpropanoyl)-2,8-diazaspiro[4.5]decan-3-one

C20H28N2O3S — CID 97197774

IUPAC2-[[(2R)-oxolan-2-yl]methyl]-8-(3-thiophen-3-ylpropanoyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C(CCc1ccsc1)N1CCC2(CC1)CC(=O)N(C[C@H]1CCCO1)C2
InChIInChI=1S/C20H28N2O3S/c23-18(4-3-16-5-11-26-14-16)21-8-6-20(7-9-21)12-19(24)22(15-20)13-17-2-1-10-25-17/h5,11,14,17H,1-4,6-10,12-13,15H2/t17-/m1/s1
InChIKeyCCPYCRLQRBDZST-QGZVFWFLSA-N
MW376.52 g/mol
LogP2.70
Rot. Bonds5

About 2-[[(2R)-oxolan-2-yl]methyl]-8-(3-thiophen-3-ylpropanoyl)-2,8-diazaspiro[4.5]decan-3-one

2-[[(2R)-oxolan-2-yl]methyl]-8-(3-thiophen-3-ylpropanoyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 97197774) has the molecular formula C20H28N2O3S and a molecular weight of 376.52 g/mol. Its IUPAC name is 2-[[(2R)-oxolan-2-yl]methyl]-8-(3-thiophen-3-ylpropanoyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-[[(2R)-oxolan-2-yl]methyl]-8-(3-thiophen-3-ylpropanoyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID97197774
Molecular FormulaC20H28N2O3S
Molecular Weight376.52 g/mol
Exact Mass376.18
IUPAC Name2-[[(2R)-oxolan-2-yl]methyl]-8-(3-thiophen-3-ylpropanoyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C(CCc1ccsc1)N1CCC2(CC1)CC(=O)N(C[C@H]1CCCO1)C2
InChIInChI=1S/C20H28N2O3S/c23-18(4-3-16-5-11-26-14-16)21-8-6-20(7-9-21)12-19(24)22(15-20)13-17-2-1-10-25-17/h5,11,14,17H,1-4,6-10,12-13,15H2/t17-/m1/s1
InChIKeyCCPYCRLQRBDZST-QGZVFWFLSA-N
XLogP2.70
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[[(2R)-oxolan-2-yl]methyl]-8-(3-thiophen-3-ylpropanoyl)-2,8-diazaspiro[4.5]decan-3-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 2-[[(2R)-oxolan-2-yl]methyl]-8-(3-thiophen-3-ylpropanoyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-[[(2R)-oxolan-2-yl]methyl]-8-(3-thiophen-3-ylpropanoyl)-2,8-diazaspiro[4.5]decan-3-one (CID 97197774) is 2-[[(2R)-oxolan-2-yl]methyl]-8-(3-thiophen-3-ylpropanoyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-[[(2R)-oxolan-2-yl]methyl]-8-(3-thiophen-3-ylpropanoyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-[[(2R)-oxolan-2-yl]methyl]-8-(3-thiophen-3-ylpropanoyl)-2,8-diazaspiro[4.5]decan-3-one is O=C(CCc1ccsc1)N1CCC2(CC1)CC(=O)N(C[C@H]1CCCO1)C2.
What is the InChIKey of 2-[[(2R)-oxolan-2-yl]methyl]-8-(3-thiophen-3-ylpropanoyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is CCPYCRLQRBDZST-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H28N2O3S/c23-18(4-3-16-5-11-26-14-16)21-8-6-20(7-9-21)12-19(24)22(15-20)13-17-2-1-10-25-17/h5,11,14,17H,1-4,6-10,12-13,15H2/t17-/m1/s1.
What are the key properties of 2-[[(2R)-oxolan-2-yl]methyl]-8-(3-thiophen-3-ylpropanoyl)-2,8-diazaspiro[4.5]decan-3-one?
2-[[(2R)-oxolan-2-yl]methyl]-8-(3-thiophen-3-ylpropanoyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 376.52 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-oxolan-2-yl]methyl]-8-(3-thiophen-3-ylpropanoyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 97197774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).