2-ethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one

C9H16N2OS — CID 10352764

IUPAC2-ethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCCC1SC2(CCNCC2)NC1=O
InChIInChI=1S/C9H16N2OS/c1-2-7-8(12)11-9(13-7)3-5-10-6-4-9/h7,10H,2-6H2,1H3,(H,11,12)
InChIKeyPTGYTOOSXXUACO-UHFFFAOYSA-N
MW200.31 g/mol
LogP0.71
Rot. Bonds1

About 2-ethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one

2-ethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 10352764) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 2-ethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-ethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
PubChem CID10352764
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name2-ethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCCC1SC2(CCNCC2)NC1=O
InChIInChI=1S/C9H16N2OS/c1-2-7-8(12)11-9(13-7)3-5-10-6-4-9/h7,10H,2-6H2,1H3,(H,11,12)
InChIKeyPTGYTOOSXXUACO-UHFFFAOYSA-N
XLogP0.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-ethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one (CID 10352764) is 2-ethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-ethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-ethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one is CCC1SC2(CCNCC2)NC1=O.
What is the InChIKey of 2-ethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is PTGYTOOSXXUACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-2-7-8(12)11-9(13-7)3-5-10-6-4-9/h7,10H,2-6H2,1H3,(H,11,12).
What are the key properties of 2-ethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
2-ethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 200.31 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 10352764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).