8-(3-methylsulfanylpropanoyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C19H26N2O4S — CID 70779840

IUPAC8-(3-methylsulfanylpropanoyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCSCCC(=O)N1CCC2(CC1)CN(CCOc1ccccc1)C(=O)O2
InChIInChI=1S/C19H26N2O4S/c1-26-14-7-17(22)20-10-8-19(9-11-20)15-21(18(23)25-19)12-13-24-16-5-3-2-4-6-16/h2-6H,7-15H2,1H3
InChIKeyDUQKMCGVFOTXTJ-UHFFFAOYSA-N
MW378.49 g/mol
LogP2.63
Rot. Bonds7

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

8-(3-methylsulfanylpropanoyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70779840) has the molecular formula C19H26N2O4S and a molecular weight of 378.49 g/mol. Its IUPAC name is 8-(3-methylsulfanylpropanoyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(3-methylsulfanylpropanoyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70779840
Molecular FormulaC19H26N2O4S
Molecular Weight378.49 g/mol
Exact Mass378.16
IUPAC Name8-(3-methylsulfanylpropanoyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCSCCC(=O)N1CCC2(CC1)CN(CCOc1ccccc1)C(=O)O2
InChIInChI=1S/C19H26N2O4S/c1-26-14-7-17(22)20-10-8-19(9-11-20)15-21(18(23)25-19)12-13-24-16-5-3-2-4-6-16/h2-6H,7-15H2,1H3
InChIKeyDUQKMCGVFOTXTJ-UHFFFAOYSA-N
XLogP2.63
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-(2-cyclopropylacetyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70774740
[2-oxo-2-[2-oxo-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]ethyl]urea
CID 70772627
8-[(2R)-2-aminopropanoyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70749055
2-[2-oxo-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]propanamide
CID 70707899
8-[(1S,5R)-3-azabicyclo[3.1.0]hexane-6-carbonyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70729921
(5R)-3-methyl-7-(3-phenoxypropanoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95722803
8-[(1R,3S)-3-aminocyclopentanecarbonyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 133130859
8-(5-methylpyridine-3-carbonyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70736346
8-[2-methyl-3-(1,2,4-triazol-1-yl)propanoyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70779117
8-(1H-imidazol-2-ylmethyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70781638
8-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70723870
2-[2-oxo-8-[3-(2-oxo-1-pyridinyl)propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid
CID 167849089

Frequently Asked Questions

What is the IUPAC name of 8-(3-methylsulfanylpropanoyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(3-methylsulfanylpropanoyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70779840) is 8-(3-methylsulfanylpropanoyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(3-methylsulfanylpropanoyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(3-methylsulfanylpropanoyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CSCCC(=O)N1CCC2(CC1)CN(CCOc1ccccc1)C(=O)O2.
What is the InChIKey of 8-(3-methylsulfanylpropanoyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is DUQKMCGVFOTXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4S/c1-26-14-7-17(22)20-10-8-19(9-11-20)15-21(18(23)25-19)12-13-24-16-5-3-2-4-6-16/h2-6H,7-15H2,1H3.
What are the key properties of 8-(3-methylsulfanylpropanoyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-(3-methylsulfanylpropanoyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 378.49 g/mol, XLogP of 2.63, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methylsulfanylpropanoyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70779840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).