7,7-dimethyl-3-oxa-9-thia-1-azaspiro[4.5]decan-2-one

C9H15NO2S — CID 79946771

IUPAC7,7-dimethyl-3-oxa-9-thia-1-azaspiro[4.5]decan-2-one
SMILESCC1(C)CSCC2(COC(=O)N2)C1
InChIInChI=1S/C9H15NO2S/c1-8(2)3-9(6-13-5-8)4-12-7(11)10-9/h3-6H2,1-2H3,(H,10,11)
InChIKeyLIMVJIXAGQYHRZ-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.63
Rot. Bonds

About 7,7-dimethyl-3-oxa-9-thia-1-azaspiro[4.5]decan-2-one

7,7-dimethyl-3-oxa-9-thia-1-azaspiro[4.5]decan-2-one (PubChem CID 79946771) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is 7,7-dimethyl-3-oxa-9-thia-1-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name7,7-dimethyl-3-oxa-9-thia-1-azaspiro[4.5]decan-2-one
PubChem CID79946771
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Name7,7-dimethyl-3-oxa-9-thia-1-azaspiro[4.5]decan-2-one
SMILESCC1(C)CSCC2(COC(=O)N2)C1
InChIInChI=1S/C9H15NO2S/c1-8(2)3-9(6-13-5-8)4-12-7(11)10-9/h3-6H2,1-2H3,(H,10,11)
InChIKeyLIMVJIXAGQYHRZ-UHFFFAOYSA-N
XLogP1.63
TPSA38.33 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 ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-3-oxa-9-thia-1-azaspiro[4.5]decan-2-one?
The IUPAC name of 7,7-dimethyl-3-oxa-9-thia-1-azaspiro[4.5]decan-2-one (CID 79946771) is 7,7-dimethyl-3-oxa-9-thia-1-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 7,7-dimethyl-3-oxa-9-thia-1-azaspiro[4.5]decan-2-one?
The canonical SMILES for 7,7-dimethyl-3-oxa-9-thia-1-azaspiro[4.5]decan-2-one is CC1(C)CSCC2(COC(=O)N2)C1.
What is the InChIKey of 7,7-dimethyl-3-oxa-9-thia-1-azaspiro[4.5]decan-2-one?
The InChIKey is LIMVJIXAGQYHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S/c1-8(2)3-9(6-13-5-8)4-12-7(11)10-9/h3-6H2,1-2H3,(H,10,11).
What are the key properties of 7,7-dimethyl-3-oxa-9-thia-1-azaspiro[4.5]decan-2-one?
7,7-dimethyl-3-oxa-9-thia-1-azaspiro[4.5]decan-2-one has a molecular weight of 201.29 g/mol, XLogP of 1.63, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-3-oxa-9-thia-1-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 79946771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).