9,9-dioxo-9λ6-thia-2-azaspiro[5.5]undecan-1-one

C9H15NO3S — CID 130953595

IUPAC9,9-dioxo-9λ6-thia-2-azaspiro[5.5]undecan-1-one
SMILESO=C1NCCCC12CCS(=O)(=O)CC2
InChIInChI=1S/C9H15NO3S/c11-8-9(2-1-5-10-8)3-6-14(12,13)7-4-9/h1-7H2,(H,10,11)
InChIKeyZZSHGUNSKKXVRE-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.09
Rot. Bonds

About 9,9-dioxo-9λ6-thia-2-azaspiro[5.5]undecan-1-one

9,9-dioxo-9λ6-thia-2-azaspiro[5.5]undecan-1-one (PubChem CID 130953595) has the molecular formula C9H15NO3S and a molecular weight of 217.29 g/mol. Its IUPAC name is 9,9-dioxo-9λ6-thia-2-azaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name9,9-dioxo-9λ6-thia-2-azaspiro[5.5]undecan-1-one
PubChem CID130953595
Molecular FormulaC9H15NO3S
Molecular Weight217.29 g/mol
Exact Mass217.08
IUPAC Name9,9-dioxo-9λ6-thia-2-azaspiro[5.5]undecan-1-one
SMILESO=C1NCCCC12CCS(=O)(=O)CC2
InChIInChI=1S/C9H15NO3S/c11-8-9(2-1-5-10-8)3-6-14(12,13)7-4-9/h1-7H2,(H,10,11)
InChIKeyZZSHGUNSKKXVRE-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 9,9-dioxo-9λ6-thia-2-azaspiro[5.5]undecan-1-one?
The IUPAC name of 9,9-dioxo-9λ6-thia-2-azaspiro[5.5]undecan-1-one (CID 130953595) is 9,9-dioxo-9λ6-thia-2-azaspiro[5.5]undecan-1-one.
What is the SMILES notation for 9,9-dioxo-9λ6-thia-2-azaspiro[5.5]undecan-1-one?
The canonical SMILES for 9,9-dioxo-9λ6-thia-2-azaspiro[5.5]undecan-1-one is O=C1NCCCC12CCS(=O)(=O)CC2.
What is the InChIKey of 9,9-dioxo-9λ6-thia-2-azaspiro[5.5]undecan-1-one?
The InChIKey is ZZSHGUNSKKXVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3S/c11-8-9(2-1-5-10-8)3-6-14(12,13)7-4-9/h1-7H2,(H,10,11).
What are the key properties of 9,9-dioxo-9λ6-thia-2-azaspiro[5.5]undecan-1-one?
9,9-dioxo-9λ6-thia-2-azaspiro[5.5]undecan-1-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 9,9-dioxo-9λ6-thia-2-azaspiro[5.5]undecan-1-one is sourced from PubChem (CID 130953595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).