2-(3-methyl-1,2,4-thiadiazol-5-yl)-2,8-diazaspiro[4.5]decan-1-one

C11H16N4OS — CID 121313988

IUPAC2-(3-methyl-1,2,4-thiadiazol-5-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1nsc(N2CCC3(CCNCC3)C2=O)n1
InChIInChI=1S/C11H16N4OS/c1-8-13-10(17-14-8)15-7-4-11(9(15)16)2-5-12-6-3-11/h12H,2-7H2,1H3
InChIKeyXOGAFFWPPMURSX-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.95
Rot. Bonds1

About 2-(3-methyl-1,2,4-thiadiazol-5-yl)-2,8-diazaspiro[4.5]decan-1-one

2-(3-methyl-1,2,4-thiadiazol-5-yl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 121313988) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-(3-methyl-1,2,4-thiadiazol-5-yl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-(3-methyl-1,2,4-thiadiazol-5-yl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID121313988
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name2-(3-methyl-1,2,4-thiadiazol-5-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1nsc(N2CCC3(CCNCC3)C2=O)n1
InChIInChI=1S/C11H16N4OS/c1-8-13-10(17-14-8)15-7-4-11(9(15)16)2-5-12-6-3-11/h12H,2-7H2,1H3
InChIKeyXOGAFFWPPMURSX-UHFFFAOYSA-N
XLogP0.95
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,2,4-thiadiazol-5-yl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-(3-methyl-1,2,4-thiadiazol-5-yl)-2,8-diazaspiro[4.5]decan-1-one (CID 121313988) is 2-(3-methyl-1,2,4-thiadiazol-5-yl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-(3-methyl-1,2,4-thiadiazol-5-yl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-(3-methyl-1,2,4-thiadiazol-5-yl)-2,8-diazaspiro[4.5]decan-1-one is Cc1nsc(N2CCC3(CCNCC3)C2=O)n1.
What is the InChIKey of 2-(3-methyl-1,2,4-thiadiazol-5-yl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is XOGAFFWPPMURSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-8-13-10(17-14-8)15-7-4-11(9(15)16)2-5-12-6-3-11/h12H,2-7H2,1H3.
What are the key properties of 2-(3-methyl-1,2,4-thiadiazol-5-yl)-2,8-diazaspiro[4.5]decan-1-one?
2-(3-methyl-1,2,4-thiadiazol-5-yl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 252.34 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,2,4-thiadiazol-5-yl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 121313988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).