9-(2-methyl-2-thiophen-2-ylpropyl)-6,9-diazaspiro[4.5]decane-7,10-dione

C16H22N2O2S — CID 80523971

IUPAC9-(2-methyl-2-thiophen-2-ylpropyl)-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCC(C)(CN1CC(=O)NC2(CCCC2)C1=O)c1cccs1
InChIInChI=1S/C16H22N2O2S/c1-15(2,12-6-5-9-21-12)11-18-10-13(19)17-16(14(18)20)7-3-4-8-16/h5-6,9H,3-4,7-8,10-11H2,1-2H3,(H,17,19)
InChIKeyAERBDFIDOGATMI-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.30
Rot. Bonds3

About 9-(2-methyl-2-thiophen-2-ylpropyl)-6,9-diazaspiro[4.5]decane-7,10-dione

9-(2-methyl-2-thiophen-2-ylpropyl)-6,9-diazaspiro[4.5]decane-7,10-dione (PubChem CID 80523971) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 9-(2-methyl-2-thiophen-2-ylpropyl)-6,9-diazaspiro[4.5]decane-7,10-dione.

Molecular Properties

Compound Name9-(2-methyl-2-thiophen-2-ylpropyl)-6,9-diazaspiro[4.5]decane-7,10-dione
PubChem CID80523971
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name9-(2-methyl-2-thiophen-2-ylpropyl)-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCC(C)(CN1CC(=O)NC2(CCCC2)C1=O)c1cccs1
InChIInChI=1S/C16H22N2O2S/c1-15(2,12-6-5-9-21-12)11-18-10-13(19)17-16(14(18)20)7-3-4-8-16/h5-6,9H,3-4,7-8,10-11H2,1-2H3,(H,17,19)
InChIKeyAERBDFIDOGATMI-UHFFFAOYSA-N
XLogP2.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(2-methyl-2-thiophen-2-ylpropyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The IUPAC name of 9-(2-methyl-2-thiophen-2-ylpropyl)-6,9-diazaspiro[4.5]decane-7,10-dione (CID 80523971) is 9-(2-methyl-2-thiophen-2-ylpropyl)-6,9-diazaspiro[4.5]decane-7,10-dione.
What is the SMILES notation for 9-(2-methyl-2-thiophen-2-ylpropyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The canonical SMILES for 9-(2-methyl-2-thiophen-2-ylpropyl)-6,9-diazaspiro[4.5]decane-7,10-dione is CC(C)(CN1CC(=O)NC2(CCCC2)C1=O)c1cccs1.
What is the InChIKey of 9-(2-methyl-2-thiophen-2-ylpropyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The InChIKey is AERBDFIDOGATMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-15(2,12-6-5-9-21-12)11-18-10-13(19)17-16(14(18)20)7-3-4-8-16/h5-6,9H,3-4,7-8,10-11H2,1-2H3,(H,17,19).
What are the key properties of 9-(2-methyl-2-thiophen-2-ylpropyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
9-(2-methyl-2-thiophen-2-ylpropyl)-6,9-diazaspiro[4.5]decane-7,10-dione has a molecular weight of 306.43 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methyl-2-thiophen-2-ylpropyl)-6,9-diazaspiro[4.5]decane-7,10-dione is sourced from PubChem (CID 80523971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).