3-sulfanyl-1-oxa-3-azaspiro[5.5]undecan-2-one

C9H15NO2S — CID 167118563

IUPAC3-sulfanyl-1-oxa-3-azaspiro[5.5]undecan-2-one
SMILESO=C1OC2(CCCCC2)CCN1S
InChIInChI=1S/C9H15NO2S/c11-8-10(13)7-6-9(12-8)4-2-1-3-5-9/h13H,1-7H2
InChIKeyGDDVAYYPTCFZJU-UHFFFAOYSA-N
MW201.29 g/mol
LogP2.38
Rot. Bonds

About 3-sulfanyl-1-oxa-3-azaspiro[5.5]undecan-2-one

3-sulfanyl-1-oxa-3-azaspiro[5.5]undecan-2-one (PubChem CID 167118563) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is 3-sulfanyl-1-oxa-3-azaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name3-sulfanyl-1-oxa-3-azaspiro[5.5]undecan-2-one
PubChem CID167118563
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Name3-sulfanyl-1-oxa-3-azaspiro[5.5]undecan-2-one
SMILESO=C1OC2(CCCCC2)CCN1S
InChIInChI=1S/C9H15NO2S/c11-8-10(13)7-6-9(12-8)4-2-1-3-5-9/h13H,1-7H2
InChIKeyGDDVAYYPTCFZJU-UHFFFAOYSA-N
XLogP2.38
TPSA29.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3,9-dimethyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one
CID 159740354
3-(2-aminoethyl)-1-oxa-3,8-diazaspiro[5.5]undecan-2-one
CID 105466874
3-(4-aminophenyl)-1-oxa-3-azaspiro[4.4]nonan-2-one
CID 105490903
1-oxaspiro[5.7]tridecane-2,4-dione
CID 11356274
(1'R,5'S)-3-cyclobutylspiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-2-one;hydrochloride
CID 171327468
5-oxaspiro[3.5]nonan-2-one
CID 171035049
2-(2-oxo-1-oxa-9-thia-3-azaspiro[4.5]decan-3-yl)acetic acid
CID 105489473
3-(2-hydroxyethyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one
CID 105467641
2-[2-oxo-8-(1-pyrrolidin-1-ylcyclopentanecarbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid
CID 70720267
9-propyl-1-oxa-9-azaspiro[4.6]undecan-2-one
CID 103439796
3-(2-fluoro-3-pyridinyl)-1-oxa-3-azaspiro[4.5]decan-2-one
CID 68761038
3-cyclobutyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 84789780

Frequently Asked Questions

What is the IUPAC name of 3-sulfanyl-1-oxa-3-azaspiro[5.5]undecan-2-one?
The IUPAC name of 3-sulfanyl-1-oxa-3-azaspiro[5.5]undecan-2-one (CID 167118563) is 3-sulfanyl-1-oxa-3-azaspiro[5.5]undecan-2-one.
What is the SMILES notation for 3-sulfanyl-1-oxa-3-azaspiro[5.5]undecan-2-one?
The canonical SMILES for 3-sulfanyl-1-oxa-3-azaspiro[5.5]undecan-2-one is O=C1OC2(CCCCC2)CCN1S.
What is the InChIKey of 3-sulfanyl-1-oxa-3-azaspiro[5.5]undecan-2-one?
The InChIKey is GDDVAYYPTCFZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S/c11-8-10(13)7-6-9(12-8)4-2-1-3-5-9/h13H,1-7H2.
What are the key properties of 3-sulfanyl-1-oxa-3-azaspiro[5.5]undecan-2-one?
3-sulfanyl-1-oxa-3-azaspiro[5.5]undecan-2-one has a molecular weight of 201.29 g/mol, XLogP of 2.38, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-sulfanyl-1-oxa-3-azaspiro[5.5]undecan-2-one is sourced from PubChem (CID 167118563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).