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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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).