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

C8H14N2OS — CID 22139638

IUPAC8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCN1CCC2(CC1)NC(=O)CS2
InChIInChI=1S/C8H14N2OS/c1-10-4-2-8(3-5-10)9-7(11)6-12-8/h2-6H2,1H3,(H,9,11)
InChIKeyWPEOOZRDARAWAH-UHFFFAOYSA-N
MW186.28 g/mol
LogP0.27
Rot. Bonds

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

8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 22139638) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
PubChem CID22139638
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCN1CCC2(CC1)NC(=O)CS2
InChIInChI=1S/C8H14N2OS/c1-10-4-2-8(3-5-10)9-7(11)6-12-8/h2-6H2,1H3,(H,9,11)
InChIKeyWPEOOZRDARAWAH-UHFFFAOYSA-N
XLogP0.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one (CID 22139638) is 8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one is CN1CCC2(CC1)NC(=O)CS2.
What is the InChIKey of 8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is WPEOOZRDARAWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-10-4-2-8(3-5-10)9-7(11)6-12-8/h2-6H2,1H3,(H,9,11).
What are the key properties of 8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 186.28 g/mol, XLogP of 0.27, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 22139638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).