3-(2-oxo-2-thiophen-2-ylethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione

C15H18N2O3S — CID 7240798

IUPAC3-(2-oxo-2-thiophen-2-ylethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESO=C(CN1C(=O)NC2(CCCCCC2)C1=O)c1cccs1
InChIInChI=1S/C15H18N2O3S/c18-11(12-6-5-9-21-12)10-17-13(19)15(16-14(17)20)7-3-1-2-4-8-15/h5-6,9H,1-4,7-8,10H2,(H,16,20)
InChIKeyQQYRNZCPKOIDIO-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.58
Rot. Bonds3

About 3-(2-oxo-2-thiophen-2-ylethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione

3-(2-oxo-2-thiophen-2-ylethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione (PubChem CID 7240798) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 3-(2-oxo-2-thiophen-2-ylethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione.

Molecular Properties

Compound Name3-(2-oxo-2-thiophen-2-ylethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione
PubChem CID7240798
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name3-(2-oxo-2-thiophen-2-ylethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESO=C(CN1C(=O)NC2(CCCCCC2)C1=O)c1cccs1
InChIInChI=1S/C15H18N2O3S/c18-11(12-6-5-9-21-12)10-17-13(19)15(16-14(17)20)7-3-1-2-4-8-15/h5-6,9H,1-4,7-8,10H2,(H,16,20)
InChIKeyQQYRNZCPKOIDIO-UHFFFAOYSA-N
XLogP2.58
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-2-thiophen-2-ylethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione?
The IUPAC name of 3-(2-oxo-2-thiophen-2-ylethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione (CID 7240798) is 3-(2-oxo-2-thiophen-2-ylethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione.
What is the SMILES notation for 3-(2-oxo-2-thiophen-2-ylethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione?
The canonical SMILES for 3-(2-oxo-2-thiophen-2-ylethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione is O=C(CN1C(=O)NC2(CCCCCC2)C1=O)c1cccs1.
What is the InChIKey of 3-(2-oxo-2-thiophen-2-ylethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione?
The InChIKey is QQYRNZCPKOIDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c18-11(12-6-5-9-21-12)10-17-13(19)15(16-14(17)20)7-3-1-2-4-8-15/h5-6,9H,1-4,7-8,10H2,(H,16,20).
What are the key properties of 3-(2-oxo-2-thiophen-2-ylethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione?
3-(2-oxo-2-thiophen-2-ylethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione has a molecular weight of 306.39 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-2-thiophen-2-ylethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione is sourced from PubChem (CID 7240798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).