8-oxa-2-thia-6-azaspiro[4.5]decan-7-one

C7H11NO2S — CID 84766499

IUPAC8-oxa-2-thia-6-azaspiro[4.5]decan-7-one
SMILESO=C1NC2(CCO1)CCSC2
InChIInChI=1S/C7H11NO2S/c9-6-8-7(1-3-10-6)2-4-11-5-7/h1-5H2,(H,8,9)
InChIKeyJDZATYNVESWDIG-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.99
Rot. Bonds

About 8-oxa-2-thia-6-azaspiro[4.5]decan-7-one

8-oxa-2-thia-6-azaspiro[4.5]decan-7-one (PubChem CID 84766499) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is 8-oxa-2-thia-6-azaspiro[4.5]decan-7-one.

Molecular Properties

Compound Name8-oxa-2-thia-6-azaspiro[4.5]decan-7-one
PubChem CID84766499
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC Name8-oxa-2-thia-6-azaspiro[4.5]decan-7-one
SMILESO=C1NC2(CCO1)CCSC2
InChIInChI=1S/C7H11NO2S/c9-6-8-7(1-3-10-6)2-4-11-5-7/h1-5H2,(H,8,9)
InChIKeyJDZATYNVESWDIG-UHFFFAOYSA-N
XLogP0.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-methyl-3-oxa-1,8-diazaspiro[5.5]undecan-2-one
CID 84769430
7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 4868343
5,5-dimethyl-1,3-oxazepan-2-one;ethane
CID 143321843
(5R)-7-thia-2-azaspiro[4.4]nonane-1,3-dione
CID 51885348
4-methyl-4-phenyl-1,3-oxazinan-2-one
CID 105444856
1-oxa-7-thia-2-azaspiro[4.4]nonan-3-one
CID 105431238
3-oxa-1,9-diazaspiro[4.5]decan-2-one
CID 83872853
10-oxa-3-thia-13-azadispiro[5.0.57.36]pentadecan-14-one
CID 165466878
4-(3-methoxyphenyl)-4-methyl-1,3-oxazinan-2-one
CID 105477275
4-imino-6,6-dimethyl-9-thia-1,3-diazaspiro[4.5]decan-2-one
CID 138388468
2-thia-7-azaspiro[4.4]nonan-8-one
CID 66109543
8-tert-butyl-3-oxa-1,8-diazaspiro[4.5]decan-2-one
CID 155396955

Frequently Asked Questions

What is the IUPAC name of 8-oxa-2-thia-6-azaspiro[4.5]decan-7-one?
The IUPAC name of 8-oxa-2-thia-6-azaspiro[4.5]decan-7-one (CID 84766499) is 8-oxa-2-thia-6-azaspiro[4.5]decan-7-one.
What is the SMILES notation for 8-oxa-2-thia-6-azaspiro[4.5]decan-7-one?
The canonical SMILES for 8-oxa-2-thia-6-azaspiro[4.5]decan-7-one is O=C1NC2(CCO1)CCSC2.
What is the InChIKey of 8-oxa-2-thia-6-azaspiro[4.5]decan-7-one?
The InChIKey is JDZATYNVESWDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2S/c9-6-8-7(1-3-10-6)2-4-11-5-7/h1-5H2,(H,8,9).
What are the key properties of 8-oxa-2-thia-6-azaspiro[4.5]decan-7-one?
8-oxa-2-thia-6-azaspiro[4.5]decan-7-one has a molecular weight of 173.24 g/mol, XLogP of 0.99, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxa-2-thia-6-azaspiro[4.5]decan-7-one is sourced from PubChem (CID 84766499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).