4-methyl-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one

C8H14N2O2S — CID 45096794

IUPAC4-methyl-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCN1C(=O)CS(=O)C12CCNCC2
InChIInChI=1S/C8H14N2O2S/c1-10-7(11)6-13(12)8(10)2-4-9-5-3-8/h9H,2-6H2,1H3
InChIKeyWAKHPQZSPNXYGN-UHFFFAOYSA-N
MW202.28 g/mol
LogP-0.71
Rot. Bonds

About 4-methyl-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one

4-methyl-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 45096794) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 4-methyl-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name4-methyl-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one
PubChem CID45096794
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Name4-methyl-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCN1C(=O)CS(=O)C12CCNCC2
InChIInChI=1S/C8H14N2O2S/c1-10-7(11)6-13(12)8(10)2-4-9-5-3-8/h9H,2-6H2,1H3
InChIKeyWAKHPQZSPNXYGN-UHFFFAOYSA-N
XLogP-0.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 4-methyl-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one (CID 45096794) is 4-methyl-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 4-methyl-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 4-methyl-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one is CN1C(=O)CS(=O)C12CCNCC2.
What is the InChIKey of 4-methyl-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is WAKHPQZSPNXYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-10-7(11)6-13(12)8(10)2-4-9-5-3-8/h9H,2-6H2,1H3.
What are the key properties of 4-methyl-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one?
4-methyl-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 202.28 g/mol, XLogP of -0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 45096794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).