3-ethyl-8-(3-methylsulfanylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C14H26N2O2S — CID 70707730

IUPAC3-ethyl-8-(3-methylsulfanylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCN1CC2(CCN(CCC(C)SC)CC2)OC1=O
InChIInChI=1S/C14H26N2O2S/c1-4-16-11-14(18-13(16)17)6-9-15(10-7-14)8-5-12(2)19-3/h12H,4-11H2,1-3H3
InChIKeyPMKDKARIAKPQKR-UHFFFAOYSA-N
MW286.44 g/mol
LogP2.43
Rot. Bonds5

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

3-ethyl-8-(3-methylsulfanylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70707730) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 3-ethyl-8-(3-methylsulfanylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-ethyl-8-(3-methylsulfanylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70707730
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC Name3-ethyl-8-(3-methylsulfanylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCN1CC2(CCN(CCC(C)SC)CC2)OC1=O
InChIInChI=1S/C14H26N2O2S/c1-4-16-11-14(18-13(16)17)6-9-15(10-7-14)8-5-12(2)19-3/h12H,4-11H2,1-3H3
InChIKeyPMKDKARIAKPQKR-UHFFFAOYSA-N
XLogP2.43
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-(2,3-dihydroxypropyl)-3-[2-(4-ethylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70749314
8-methyl-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70783416
4-ethyl-2,2-dimethyl-10-(3-methylbutyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 129069856
7-ethyl-2,5-dioxa-7-azaspiro[3.4]octan-6-one
CID 146246264
3-(2-ethylbutyl)-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70725296
3-[2-(dimethylamino)ethyl]-8-[(3S)-3-(5-methylfuran-2-yl)butyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 95862402
3-[2-(4-ethylpiperazin-1-yl)ethyl]-8-[(2S)-2-(methylamino)propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70724574
(2R,6S)-4-ethyl-2-methyl-10-(3-methylbutyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 137370776
2-(2-methoxyethyl)-9-[(3S)-3-methylsulfanylbutyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97143626
9-(3-methylsulfanylbutyl)-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72939168
8-(2-amino-2-methylpropyl)-3-[3-(4-ethylpiperazin-1-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70705001
4-[1-(4-fluorophenyl)-3-[3-(methylsulfanylmethyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]propoxy]benzonitrile
CID 24886527

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8-(3-methylsulfanylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-ethyl-8-(3-methylsulfanylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70707730) is 3-ethyl-8-(3-methylsulfanylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-ethyl-8-(3-methylsulfanylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-ethyl-8-(3-methylsulfanylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCN1CC2(CCN(CCC(C)SC)CC2)OC1=O.
What is the InChIKey of 3-ethyl-8-(3-methylsulfanylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is PMKDKARIAKPQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S/c1-4-16-11-14(18-13(16)17)6-9-15(10-7-14)8-5-12(2)19-3/h12H,4-11H2,1-3H3.
What are the key properties of 3-ethyl-8-(3-methylsulfanylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-ethyl-8-(3-methylsulfanylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 286.44 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-8-(3-methylsulfanylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70707730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).