2,2-dioxo-2λ6-thia-8-azaspiro[5.5]undecan-9-one

C9H15NO3S — CID 102737324

IUPAC2,2-dioxo-2λ6-thia-8-azaspiro[5.5]undecan-9-one
SMILESO=C1CCC2(CCCS(=O)(=O)C2)CN1
InChIInChI=1S/C9H15NO3S/c11-8-2-4-9(6-10-8)3-1-5-14(12,13)7-9/h1-7H2,(H,10,11)
InChIKeyBUQVSQAXMAFBHJ-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.09
Rot. Bonds

About 2,2-dioxo-2λ6-thia-8-azaspiro[5.5]undecan-9-one

2,2-dioxo-2λ6-thia-8-azaspiro[5.5]undecan-9-one (PubChem CID 102737324) has the molecular formula C9H15NO3S and a molecular weight of 217.29 g/mol. Its IUPAC name is 2,2-dioxo-2λ6-thia-8-azaspiro[5.5]undecan-9-one.

Molecular Properties

Compound Name2,2-dioxo-2λ6-thia-8-azaspiro[5.5]undecan-9-one
PubChem CID102737324
Molecular FormulaC9H15NO3S
Molecular Weight217.29 g/mol
Exact Mass217.08
IUPAC Name2,2-dioxo-2λ6-thia-8-azaspiro[5.5]undecan-9-one
SMILESO=C1CCC2(CCCS(=O)(=O)C2)CN1
InChIInChI=1S/C9H15NO3S/c11-8-2-4-9(6-10-8)3-1-5-14(12,13)7-9/h1-7H2,(H,10,11)
InChIKeyBUQVSQAXMAFBHJ-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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Related Compounds

N-[(1,1-dioxothian-4-yl)methyl]-4,4-dimethylcyclohexane-1-carboxamide
CID 130253002
N-[(1,1-dioxothian-4-yl)methyl]-2,2,5,5-tetramethylhexanamide
CID 130266262
N-[(1,1-dioxothian-4-yl)methyl]-5,5-dimethylhexanamide
CID 130272131
N-(1,1-dioxothian-4-yl)-2,2,4,4-tetramethylhexanamide
CID 130272266
N-[(1,1-dioxothian-4-yl)methyl]-5,5-dimethylheptanamide
CID 130272383
N-(1,1-dioxothian-4-yl)-3,3-dimethylhexanamide
CID 130272401
9,9-Dioxo-9lambda6-thia-2-azaspiro[5.5]undecan-1-one
CID 130953595
N-[(1,1-dioxothian-4-yl)methyl]-2,2-dimethylhexanamide
CID 134570478
4-(1-Methylsulfonylpropyl)piperidin-2-one
CID 173160832
1,1-Dioxo-2-piperidin-3-ylthiane-4-carboxamide
CID 175824303
CID 43558515
CID 43558515
CID 43615349
CID 43615349

Frequently Asked Questions

What is the IUPAC name of 2,2-dioxo-2λ6-thia-8-azaspiro[5.5]undecan-9-one?
The IUPAC name of 2,2-dioxo-2λ6-thia-8-azaspiro[5.5]undecan-9-one (CID 102737324) is 2,2-dioxo-2λ6-thia-8-azaspiro[5.5]undecan-9-one.
What is the SMILES notation for 2,2-dioxo-2λ6-thia-8-azaspiro[5.5]undecan-9-one?
The canonical SMILES for 2,2-dioxo-2λ6-thia-8-azaspiro[5.5]undecan-9-one is O=C1CCC2(CCCS(=O)(=O)C2)CN1.
What is the InChIKey of 2,2-dioxo-2λ6-thia-8-azaspiro[5.5]undecan-9-one?
The InChIKey is BUQVSQAXMAFBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3S/c11-8-2-4-9(6-10-8)3-1-5-14(12,13)7-9/h1-7H2,(H,10,11).
What are the key properties of 2,2-dioxo-2λ6-thia-8-azaspiro[5.5]undecan-9-one?
2,2-dioxo-2λ6-thia-8-azaspiro[5.5]undecan-9-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 2,2-dioxo-2λ6-thia-8-azaspiro[5.5]undecan-9-one is sourced from PubChem (CID 102737324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).