8-azaspiro[4.5]decan-8-yl(1,3-thiazolidin-4-yl)methanone

C13H22N2OS — CID 55159293

IUPAC8-azaspiro[4.5]decan-8-yl(1,3-thiazolidin-4-yl)methanone
SMILESO=C(C1CSCN1)N1CCC2(CCCC2)CC1
InChIInChI=1S/C13H22N2OS/c16-12(11-9-17-10-14-11)15-7-5-13(6-8-15)3-1-2-4-13/h11,14H,1-10H2
InChIKeyQNEXFPWFMRUSRT-UHFFFAOYSA-N
MW254.40 g/mol
LogP1.83
Rot. Bonds1

About 8-azaspiro[4.5]decan-8-yl(1,3-thiazolidin-4-yl)methanone

8-azaspiro[4.5]decan-8-yl(1,3-thiazolidin-4-yl)methanone (PubChem CID 55159293) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 8-azaspiro[4.5]decan-8-yl(1,3-thiazolidin-4-yl)methanone.

Molecular Properties

Compound Name8-azaspiro[4.5]decan-8-yl(1,3-thiazolidin-4-yl)methanone
PubChem CID55159293
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name8-azaspiro[4.5]decan-8-yl(1,3-thiazolidin-4-yl)methanone
SMILESO=C(C1CSCN1)N1CCC2(CCCC2)CC1
InChIInChI=1S/C13H22N2OS/c16-12(11-9-17-10-14-11)15-7-5-13(6-8-15)3-1-2-4-13/h11,14H,1-10H2
InChIKeyQNEXFPWFMRUSRT-UHFFFAOYSA-N
XLogP1.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-azaspiro[4.5]decan-8-yl(1,3-thiazolidin-4-yl)methanone?
The IUPAC name of 8-azaspiro[4.5]decan-8-yl(1,3-thiazolidin-4-yl)methanone (CID 55159293) is 8-azaspiro[4.5]decan-8-yl(1,3-thiazolidin-4-yl)methanone.
What is the SMILES notation for 8-azaspiro[4.5]decan-8-yl(1,3-thiazolidin-4-yl)methanone?
The canonical SMILES for 8-azaspiro[4.5]decan-8-yl(1,3-thiazolidin-4-yl)methanone is O=C(C1CSCN1)N1CCC2(CCCC2)CC1.
What is the InChIKey of 8-azaspiro[4.5]decan-8-yl(1,3-thiazolidin-4-yl)methanone?
The InChIKey is QNEXFPWFMRUSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c16-12(11-9-17-10-14-11)15-7-5-13(6-8-15)3-1-2-4-13/h11,14H,1-10H2.
What are the key properties of 8-azaspiro[4.5]decan-8-yl(1,3-thiazolidin-4-yl)methanone?
8-azaspiro[4.5]decan-8-yl(1,3-thiazolidin-4-yl)methanone has a molecular weight of 254.40 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azaspiro[4.5]decan-8-yl(1,3-thiazolidin-4-yl)methanone is sourced from PubChem (CID 55159293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).