2-(2-thiophen-2-ylethyl)-2-azaspiro[4.4]nonane-1,3-dione

C14H17NO2S — CID 2796084

IUPAC2-(2-thiophen-2-ylethyl)-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCCC2)C(=O)N1CCc1cccs1
InChIInChI=1S/C14H17NO2S/c16-12-10-14(6-1-2-7-14)13(17)15(12)8-5-11-4-3-9-18-11/h3-4,9H,1-2,5-8,10H2
InChIKeyXLEODNFWBDHFLK-UHFFFAOYSA-N
MW263.36 g/mol
LogP2.61
Rot. Bonds3

About 2-(2-thiophen-2-ylethyl)-2-azaspiro[4.4]nonane-1,3-dione

2-(2-thiophen-2-ylethyl)-2-azaspiro[4.4]nonane-1,3-dione (PubChem CID 2796084) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is 2-(2-thiophen-2-ylethyl)-2-azaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name2-(2-thiophen-2-ylethyl)-2-azaspiro[4.4]nonane-1,3-dione
PubChem CID2796084
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name2-(2-thiophen-2-ylethyl)-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCCC2)C(=O)N1CCc1cccs1
InChIInChI=1S/C14H17NO2S/c16-12-10-14(6-1-2-7-14)13(17)15(12)8-5-11-4-3-9-18-11/h3-4,9H,1-2,5-8,10H2
InChIKeyXLEODNFWBDHFLK-UHFFFAOYSA-N
XLogP2.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-thiophen-2-ylethyl)-2-azaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 2-(2-thiophen-2-ylethyl)-2-azaspiro[4.4]nonane-1,3-dione (CID 2796084) is 2-(2-thiophen-2-ylethyl)-2-azaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 2-(2-thiophen-2-ylethyl)-2-azaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 2-(2-thiophen-2-ylethyl)-2-azaspiro[4.4]nonane-1,3-dione is O=C1CC2(CCCC2)C(=O)N1CCc1cccs1.
What is the InChIKey of 2-(2-thiophen-2-ylethyl)-2-azaspiro[4.4]nonane-1,3-dione?
The InChIKey is XLEODNFWBDHFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c16-12-10-14(6-1-2-7-14)13(17)15(12)8-5-11-4-3-9-18-11/h3-4,9H,1-2,5-8,10H2.
What are the key properties of 2-(2-thiophen-2-ylethyl)-2-azaspiro[4.4]nonane-1,3-dione?
2-(2-thiophen-2-ylethyl)-2-azaspiro[4.4]nonane-1,3-dione has a molecular weight of 263.36 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-thiophen-2-ylethyl)-2-azaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 2796084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).