1-methyl-2,2-dioxo-2λ6-thia-1-azaspiro[4.4]nonan-4-one

C8H13NO3S — CID 99989122

IUPAC1-methyl-2,2-dioxo-2λ6-thia-1-azaspiro[4.4]nonan-4-one
SMILESCN1C2(CCCC2)C(=O)CS1(=O)=O
InChIInChI=1S/C8H13NO3S/c1-9-8(4-2-3-5-8)7(10)6-13(9,11)12/h2-6H2,1H3
InChIKeyXGLBKIPXOITFAV-UHFFFAOYSA-N
MW203.26 g/mol
LogP0.14
Rot. Bonds

About 1-methyl-2,2-dioxo-2λ6-thia-1-azaspiro[4.4]nonan-4-one

1-methyl-2,2-dioxo-2λ6-thia-1-azaspiro[4.4]nonan-4-one (PubChem CID 99989122) has the molecular formula C8H13NO3S and a molecular weight of 203.26 g/mol. Its IUPAC name is 1-methyl-2,2-dioxo-2λ6-thia-1-azaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name1-methyl-2,2-dioxo-2λ6-thia-1-azaspiro[4.4]nonan-4-one
PubChem CID99989122
Molecular FormulaC8H13NO3S
Molecular Weight203.26 g/mol
Exact Mass203.06
IUPAC Name1-methyl-2,2-dioxo-2λ6-thia-1-azaspiro[4.4]nonan-4-one
SMILESCN1C2(CCCC2)C(=O)CS1(=O)=O
InChIInChI=1S/C8H13NO3S/c1-9-8(4-2-3-5-8)7(10)6-13(9,11)12/h2-6H2,1H3
InChIKeyXGLBKIPXOITFAV-UHFFFAOYSA-N
XLogP0.14
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,2-dioxo-2λ6-thia-1-azaspiro[4.4]nonan-4-one?
The IUPAC name of 1-methyl-2,2-dioxo-2λ6-thia-1-azaspiro[4.4]nonan-4-one (CID 99989122) is 1-methyl-2,2-dioxo-2λ6-thia-1-azaspiro[4.4]nonan-4-one.
What is the SMILES notation for 1-methyl-2,2-dioxo-2λ6-thia-1-azaspiro[4.4]nonan-4-one?
The canonical SMILES for 1-methyl-2,2-dioxo-2λ6-thia-1-azaspiro[4.4]nonan-4-one is CN1C2(CCCC2)C(=O)CS1(=O)=O.
What is the InChIKey of 1-methyl-2,2-dioxo-2λ6-thia-1-azaspiro[4.4]nonan-4-one?
The InChIKey is XGLBKIPXOITFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3S/c1-9-8(4-2-3-5-8)7(10)6-13(9,11)12/h2-6H2,1H3.
What are the key properties of 1-methyl-2,2-dioxo-2λ6-thia-1-azaspiro[4.4]nonan-4-one?
1-methyl-2,2-dioxo-2λ6-thia-1-azaspiro[4.4]nonan-4-one has a molecular weight of 203.26 g/mol, XLogP of 0.14, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,2-dioxo-2λ6-thia-1-azaspiro[4.4]nonan-4-one is sourced from PubChem (CID 99989122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).