8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decan-3-one

C8H13NO3S — CID 66107161

IUPAC8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCS(=O)(=O)CC2)CN1
InChIInChI=1S/C8H13NO3S/c10-7-5-8(6-9-7)1-3-13(11,12)4-2-8/h1-6H2,(H,9,10)
InChIKeyWXRCDHNXDAYFRK-UHFFFAOYSA-N
MW203.26 g/mol
LogP-0.30
Rot. Bonds

About 8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decan-3-one

8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decan-3-one (PubChem CID 66107161) has the molecular formula C8H13NO3S and a molecular weight of 203.26 g/mol. Its IUPAC name is 8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decan-3-one
PubChem CID66107161
Molecular FormulaC8H13NO3S
Molecular Weight203.26 g/mol
Exact Mass203.06
IUPAC Name8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCS(=O)(=O)CC2)CN1
InChIInChI=1S/C8H13NO3S/c10-7-5-8(6-9-7)1-3-13(11,12)4-2-8/h1-6H2,(H,9,10)
InChIKeyWXRCDHNXDAYFRK-UHFFFAOYSA-N
XLogP-0.30
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decan-3-one?
The IUPAC name of 8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decan-3-one (CID 66107161) is 8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decan-3-one?
The canonical SMILES for 8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decan-3-one is O=C1CC2(CCS(=O)(=O)CC2)CN1.
What is the InChIKey of 8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decan-3-one?
The InChIKey is WXRCDHNXDAYFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3S/c10-7-5-8(6-9-7)1-3-13(11,12)4-2-8/h1-6H2,(H,9,10).
What are the key properties of 8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decan-3-one?
8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decan-3-one has a molecular weight of 203.26 g/mol, XLogP of -0.30, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 66107161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).