2,2-dioxo-2λ6-thia-8-azaspiro[5.5]undecan-9-one

C9H15NO3S — CID 102737324

IUPAC2,2-dioxo-2λ6-thia-8-azaspiro[5.5]undecan-9-one
SMILESO=C1CCC2(CCCS(=O)(=O)C2)CN1
InChIInChI=1S/C9H15NO3S/c11-8-2-4-9(6-10-8)3-1-5-14(12,13)7-9/h1-7H2,(H,10,11)
InChIKeyBUQVSQAXMAFBHJ-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.09
Rot. Bonds

About 2,2-dioxo-2λ6-thia-8-azaspiro[5.5]undecan-9-one

2,2-dioxo-2λ6-thia-8-azaspiro[5.5]undecan-9-one (PubChem CID 102737324) has the molecular formula C9H15NO3S and a molecular weight of 217.29 g/mol. Its IUPAC name is 2,2-dioxo-2λ6-thia-8-azaspiro[5.5]undecan-9-one.

Molecular Properties

Compound Name2,2-dioxo-2λ6-thia-8-azaspiro[5.5]undecan-9-one
PubChem CID102737324
Molecular FormulaC9H15NO3S
Molecular Weight217.29 g/mol
Exact Mass217.08
IUPAC Name2,2-dioxo-2λ6-thia-8-azaspiro[5.5]undecan-9-one
SMILESO=C1CCC2(CCCS(=O)(=O)C2)CN1
InChIInChI=1S/C9H15NO3S/c11-8-2-4-9(6-10-8)3-1-5-14(12,13)7-9/h1-7H2,(H,10,11)
InChIKeyBUQVSQAXMAFBHJ-UHFFFAOYSA-N
XLogP0.09
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dioxo-2λ6-thia-8-azaspiro[5.5]undecan-9-one?
The IUPAC name of 2,2-dioxo-2λ6-thia-8-azaspiro[5.5]undecan-9-one (CID 102737324) is 2,2-dioxo-2λ6-thia-8-azaspiro[5.5]undecan-9-one.
What is the SMILES notation for 2,2-dioxo-2λ6-thia-8-azaspiro[5.5]undecan-9-one?
The canonical SMILES for 2,2-dioxo-2λ6-thia-8-azaspiro[5.5]undecan-9-one is O=C1CCC2(CCCS(=O)(=O)C2)CN1.
What is the InChIKey of 2,2-dioxo-2λ6-thia-8-azaspiro[5.5]undecan-9-one?
The InChIKey is BUQVSQAXMAFBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3S/c11-8-2-4-9(6-10-8)3-1-5-14(12,13)7-9/h1-7H2,(H,10,11).
What are the key properties of 2,2-dioxo-2λ6-thia-8-azaspiro[5.5]undecan-9-one?
2,2-dioxo-2λ6-thia-8-azaspiro[5.5]undecan-9-one has a molecular weight of 217.29 g/mol, XLogP of 0.09, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dioxo-2λ6-thia-8-azaspiro[5.5]undecan-9-one is sourced from PubChem (CID 102737324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).