2-azaspiro[5.5]undec-9-en-2-yl(1,3-thiazolidin-3-yl)methanone

C14H22N2OS — CID 13141786

IUPAC2-azaspiro[5.5]undec-9-en-2-yl(1,3-thiazolidin-3-yl)methanone
SMILESO=C(N1CCSC1)N1CCCC2(CC=CCC2)C1
InChIInChI=1S/C14H22N2OS/c17-13(16-9-10-18-12-16)15-8-4-7-14(11-15)5-2-1-3-6-14/h1-2H,3-12H2
InChIKeyQEKNPHNCVNUBFT-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.93
Rot. Bonds

About 2-azaspiro[5.5]undec-9-en-2-yl(1,3-thiazolidin-3-yl)methanone

2-azaspiro[5.5]undec-9-en-2-yl(1,3-thiazolidin-3-yl)methanone (PubChem CID 13141786) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-azaspiro[5.5]undec-9-en-2-yl(1,3-thiazolidin-3-yl)methanone.

Molecular Properties

Compound Name2-azaspiro[5.5]undec-9-en-2-yl(1,3-thiazolidin-3-yl)methanone
PubChem CID13141786
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2-azaspiro[5.5]undec-9-en-2-yl(1,3-thiazolidin-3-yl)methanone
SMILESO=C(N1CCSC1)N1CCCC2(CC=CCC2)C1
InChIInChI=1S/C14H22N2OS/c17-13(16-9-10-18-12-16)15-8-4-7-14(11-15)5-2-1-3-6-14/h1-2H,3-12H2
InChIKeyQEKNPHNCVNUBFT-UHFFFAOYSA-N
XLogP2.93
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-azaspiro[5.5]undec-9-en-2-yl(1,3-thiazolidin-3-yl)methanone?
The IUPAC name of 2-azaspiro[5.5]undec-9-en-2-yl(1,3-thiazolidin-3-yl)methanone (CID 13141786) is 2-azaspiro[5.5]undec-9-en-2-yl(1,3-thiazolidin-3-yl)methanone.
What is the SMILES notation for 2-azaspiro[5.5]undec-9-en-2-yl(1,3-thiazolidin-3-yl)methanone?
The canonical SMILES for 2-azaspiro[5.5]undec-9-en-2-yl(1,3-thiazolidin-3-yl)methanone is O=C(N1CCSC1)N1CCCC2(CC=CCC2)C1.
What is the InChIKey of 2-azaspiro[5.5]undec-9-en-2-yl(1,3-thiazolidin-3-yl)methanone?
The InChIKey is QEKNPHNCVNUBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c17-13(16-9-10-18-12-16)15-8-4-7-14(11-15)5-2-1-3-6-14/h1-2H,3-12H2.
What are the key properties of 2-azaspiro[5.5]undec-9-en-2-yl(1,3-thiazolidin-3-yl)methanone?
2-azaspiro[5.5]undec-9-en-2-yl(1,3-thiazolidin-3-yl)methanone has a molecular weight of 266.41 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaspiro[5.5]undec-9-en-2-yl(1,3-thiazolidin-3-yl)methanone is sourced from PubChem (CID 13141786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).