3-(2-ethylbutyl)-8-(2-methylsulfanylacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C16H28N2O3S — CID 70728710

IUPAC3-(2-ethylbutyl)-8-(2-methylsulfanylacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCC(CC)CN1CC2(CCN(C(=O)CSC)CC2)OC1=O
InChIInChI=1S/C16H28N2O3S/c1-4-13(5-2)10-18-12-16(21-15(18)20)6-8-17(9-7-16)14(19)11-22-3/h13H,4-12H2,1-3H3
InChIKeyFYGRTYSDYVAZRG-UHFFFAOYSA-N
MW328.48 g/mol
LogP2.60
Rot. Bonds6

About 3-(2-ethylbutyl)-8-(2-methylsulfanylacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-(2-ethylbutyl)-8-(2-methylsulfanylacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70728710) has the molecular formula C16H28N2O3S and a molecular weight of 328.48 g/mol. Its IUPAC name is 3-(2-ethylbutyl)-8-(2-methylsulfanylacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-(2-ethylbutyl)-8-(2-methylsulfanylacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70728710
Molecular FormulaC16H28N2O3S
Molecular Weight328.48 g/mol
Exact Mass328.18
IUPAC Name3-(2-ethylbutyl)-8-(2-methylsulfanylacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCC(CC)CN1CC2(CCN(C(=O)CSC)CC2)OC1=O
InChIInChI=1S/C16H28N2O3S/c1-4-13(5-2)10-18-12-16(21-15(18)20)6-8-17(9-7-16)14(19)11-22-3/h13H,4-12H2,1-3H3
InChIKeyFYGRTYSDYVAZRG-UHFFFAOYSA-N
XLogP2.60
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-ethylbutyl)-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70725296
3-(2-ethylbutyl)-8-[2-(3-methylpiperidin-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70760970
3-(2-ethylbutyl)-8-[4-(1,2,4-triazol-1-yl)butanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70740333
8-(1,3-dimethylpyrazole-4-carbonyl)-3-(2-ethylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70763598
3-(2-ethylbutyl)-8-(imidazo[1,2-a]pyrimidine-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70724447
3-[2-(4-ethylpiperazin-1-yl)ethyl]-8-(2-hydroxyacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70727405
8-(2-aminoacetyl)-3-[2-(4-ethylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride
CID 154895699
[2-[3-[2-(4-ethylpiperazin-1-yl)ethyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]urea
CID 70714433
8-[2-(azepan-1-yl)acetyl]-3-hexyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70744928
8-(3-methylsulfanylpropanoyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70779840
3-ethyl-8-[2-(5-methylpyrazol-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70720566
3-hexyl-8-[2-(4-hydroxypiperidin-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70765516

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylbutyl)-8-(2-methylsulfanylacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-(2-ethylbutyl)-8-(2-methylsulfanylacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70728710) is 3-(2-ethylbutyl)-8-(2-methylsulfanylacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-(2-ethylbutyl)-8-(2-methylsulfanylacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-(2-ethylbutyl)-8-(2-methylsulfanylacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCC(CC)CN1CC2(CCN(C(=O)CSC)CC2)OC1=O.
What is the InChIKey of 3-(2-ethylbutyl)-8-(2-methylsulfanylacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is FYGRTYSDYVAZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3S/c1-4-13(5-2)10-18-12-16(21-15(18)20)6-8-17(9-7-16)14(19)11-22-3/h13H,4-12H2,1-3H3.
What are the key properties of 3-(2-ethylbutyl)-8-(2-methylsulfanylacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-(2-ethylbutyl)-8-(2-methylsulfanylacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 328.48 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylbutyl)-8-(2-methylsulfanylacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70728710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).