3-ethyl-8-methyl-2-sulfanylidene-1-oxa-3,8-diazaspiro[4.5]decan-4-one

C10H16N2O2S — CID 14956867

IUPAC3-ethyl-8-methyl-2-sulfanylidene-1-oxa-3,8-diazaspiro[4.5]decan-4-one
SMILESCCN1C(=O)C2(CCN(C)CC2)OC1=S
InChIInChI=1S/C10H16N2O2S/c1-3-12-8(13)10(14-9(12)15)4-6-11(2)7-5-10/h3-7H2,1-2H3
InChIKeyFGMFPQUYYBEYEK-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.61
Rot. Bonds1

About 3-ethyl-8-methyl-2-sulfanylidene-1-oxa-3,8-diazaspiro[4.5]decan-4-one

3-ethyl-8-methyl-2-sulfanylidene-1-oxa-3,8-diazaspiro[4.5]decan-4-one (PubChem CID 14956867) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 3-ethyl-8-methyl-2-sulfanylidene-1-oxa-3,8-diazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name3-ethyl-8-methyl-2-sulfanylidene-1-oxa-3,8-diazaspiro[4.5]decan-4-one
PubChem CID14956867
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name3-ethyl-8-methyl-2-sulfanylidene-1-oxa-3,8-diazaspiro[4.5]decan-4-one
SMILESCCN1C(=O)C2(CCN(C)CC2)OC1=S
InChIInChI=1S/C10H16N2O2S/c1-3-12-8(13)10(14-9(12)15)4-6-11(2)7-5-10/h3-7H2,1-2H3
InChIKeyFGMFPQUYYBEYEK-UHFFFAOYSA-N
XLogP0.61
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8-methyl-2-sulfanylidene-1-oxa-3,8-diazaspiro[4.5]decan-4-one?
The IUPAC name of 3-ethyl-8-methyl-2-sulfanylidene-1-oxa-3,8-diazaspiro[4.5]decan-4-one (CID 14956867) is 3-ethyl-8-methyl-2-sulfanylidene-1-oxa-3,8-diazaspiro[4.5]decan-4-one.
What is the SMILES notation for 3-ethyl-8-methyl-2-sulfanylidene-1-oxa-3,8-diazaspiro[4.5]decan-4-one?
The canonical SMILES for 3-ethyl-8-methyl-2-sulfanylidene-1-oxa-3,8-diazaspiro[4.5]decan-4-one is CCN1C(=O)C2(CCN(C)CC2)OC1=S.
What is the InChIKey of 3-ethyl-8-methyl-2-sulfanylidene-1-oxa-3,8-diazaspiro[4.5]decan-4-one?
The InChIKey is FGMFPQUYYBEYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-3-12-8(13)10(14-9(12)15)4-6-11(2)7-5-10/h3-7H2,1-2H3.
What are the key properties of 3-ethyl-8-methyl-2-sulfanylidene-1-oxa-3,8-diazaspiro[4.5]decan-4-one?
3-ethyl-8-methyl-2-sulfanylidene-1-oxa-3,8-diazaspiro[4.5]decan-4-one has a molecular weight of 228.32 g/mol, XLogP of 0.61, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-8-methyl-2-sulfanylidene-1-oxa-3,8-diazaspiro[4.5]decan-4-one is sourced from PubChem (CID 14956867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).