5,5-dioxo-5λ6-thiaspiro[2.4]heptan-2-amine

C6H11NO2S — CID 63166258

IUPAC5,5-dioxo-5λ6-thiaspiro[2.4]heptan-2-amine
SMILESNC1CC12CCS(=O)(=O)C2
InChIInChI=1S/C6H11NO2S/c7-5-3-6(5)1-2-10(8,9)4-6/h5H,1-4,7H2
InChIKeyOGTXZPYUHJXOQV-UHFFFAOYSA-N
MW161.23 g/mol
LogP-0.48
Rot. Bonds

About 5,5-dioxo-5λ6-thiaspiro[2.4]heptan-2-amine

5,5-dioxo-5λ6-thiaspiro[2.4]heptan-2-amine (PubChem CID 63166258) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is 5,5-dioxo-5λ6-thiaspiro[2.4]heptan-2-amine.

Molecular Properties

Compound Name5,5-dioxo-5λ6-thiaspiro[2.4]heptan-2-amine
PubChem CID63166258
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC Name5,5-dioxo-5λ6-thiaspiro[2.4]heptan-2-amine
SMILESNC1CC12CCS(=O)(=O)C2
InChIInChI=1S/C6H11NO2S/c7-5-3-6(5)1-2-10(8,9)4-6/h5H,1-4,7H2
InChIKeyOGTXZPYUHJXOQV-UHFFFAOYSA-N
XLogP-0.48
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-dioxo-5λ6-thiaspiro[2.4]heptan-2-amine?
The IUPAC name of 5,5-dioxo-5λ6-thiaspiro[2.4]heptan-2-amine (CID 63166258) is 5,5-dioxo-5λ6-thiaspiro[2.4]heptan-2-amine.
What is the SMILES notation for 5,5-dioxo-5λ6-thiaspiro[2.4]heptan-2-amine?
The canonical SMILES for 5,5-dioxo-5λ6-thiaspiro[2.4]heptan-2-amine is NC1CC12CCS(=O)(=O)C2.
What is the InChIKey of 5,5-dioxo-5λ6-thiaspiro[2.4]heptan-2-amine?
The InChIKey is OGTXZPYUHJXOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2S/c7-5-3-6(5)1-2-10(8,9)4-6/h5H,1-4,7H2.
What are the key properties of 5,5-dioxo-5λ6-thiaspiro[2.4]heptan-2-amine?
5,5-dioxo-5λ6-thiaspiro[2.4]heptan-2-amine has a molecular weight of 161.23 g/mol, XLogP of -0.48, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dioxo-5λ6-thiaspiro[2.4]heptan-2-amine is sourced from PubChem (CID 63166258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).