6,6-dioxo-6λ6-thia-2,9-diazaspiro[4.5]decan-1-one

C7H12N2O3S — CID 67992744

IUPAC6,6-dioxo-6λ6-thia-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1NCCC12CNCCS2(=O)=O
InChIInChI=1S/C7H12N2O3S/c10-6-7(1-2-9-6)5-8-3-4-13(7,11)12/h8H,1-5H2,(H,9,10)
InChIKeyZXRWHKALDLLKBE-UHFFFAOYSA-N
MW204.25 g/mol
LogP-1.74
Rot. Bonds

About 6,6-dioxo-6λ6-thia-2,9-diazaspiro[4.5]decan-1-one

6,6-dioxo-6λ6-thia-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 67992744) has the molecular formula C7H12N2O3S and a molecular weight of 204.25 g/mol. Its IUPAC name is 6,6-dioxo-6λ6-thia-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name6,6-dioxo-6λ6-thia-2,9-diazaspiro[4.5]decan-1-one
PubChem CID67992744
Molecular FormulaC7H12N2O3S
Molecular Weight204.25 g/mol
Exact Mass204.06
IUPAC Name6,6-dioxo-6λ6-thia-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1NCCC12CNCCS2(=O)=O
InChIInChI=1S/C7H12N2O3S/c10-6-7(1-2-9-6)5-8-3-4-13(7,11)12/h8H,1-5H2,(H,9,10)
InChIKeyZXRWHKALDLLKBE-UHFFFAOYSA-N
XLogP-1.74
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 5-1.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,6-dioxo-6λ6-thia-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 6,6-dioxo-6λ6-thia-2,9-diazaspiro[4.5]decan-1-one (CID 67992744) is 6,6-dioxo-6λ6-thia-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 6,6-dioxo-6λ6-thia-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 6,6-dioxo-6λ6-thia-2,9-diazaspiro[4.5]decan-1-one is O=C1NCCC12CNCCS2(=O)=O.
What is the InChIKey of 6,6-dioxo-6λ6-thia-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is ZXRWHKALDLLKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3S/c10-6-7(1-2-9-6)5-8-3-4-13(7,11)12/h8H,1-5H2,(H,9,10).
What are the key properties of 6,6-dioxo-6λ6-thia-2,9-diazaspiro[4.5]decan-1-one?
6,6-dioxo-6λ6-thia-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 204.25 g/mol, XLogP of -1.74, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dioxo-6λ6-thia-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 67992744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).