2λ6-thia-1,9-diazaspiro[4.5]decane 2,2-dioxide

C7H14N2O2S — CID 175977076

IUPAC2λ6-thia-1,9-diazaspiro[4.5]decane 2,2-dioxide
SMILESO=S1(=O)CCC2(CCCNC2)N1
InChIInChI=1S/C7H14N2O2S/c10-12(11)5-3-7(9-12)2-1-4-8-6-7/h8-9H,1-6H2
InChIKeyMZSIIEAIZFTSQI-UHFFFAOYSA-N
MW190.27 g/mol
LogP-0.57
Rot. Bonds

About 2λ6-thia-1,9-diazaspiro[4.5]decane 2,2-dioxide

2λ6-thia-1,9-diazaspiro[4.5]decane 2,2-dioxide (PubChem CID 175977076) has the molecular formula C7H14N2O2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 2λ6-thia-1,9-diazaspiro[4.5]decane 2,2-dioxide.

Molecular Properties

Compound Name2λ6-thia-1,9-diazaspiro[4.5]decane 2,2-dioxide
PubChem CID175977076
Molecular FormulaC7H14N2O2S
Molecular Weight190.27 g/mol
Exact Mass190.08
IUPAC Name2λ6-thia-1,9-diazaspiro[4.5]decane 2,2-dioxide
SMILESO=S1(=O)CCC2(CCCNC2)N1
InChIInChI=1S/C7H14N2O2S/c10-12(11)5-3-7(9-12)2-1-4-8-6-7/h8-9H,1-6H2
InChIKeyMZSIIEAIZFTSQI-UHFFFAOYSA-N
XLogP-0.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2λ6-thia-1,9-diazaspiro[4.5]decane 2,2-dioxide?
The IUPAC name of 2λ6-thia-1,9-diazaspiro[4.5]decane 2,2-dioxide (CID 175977076) is 2λ6-thia-1,9-diazaspiro[4.5]decane 2,2-dioxide.
What is the SMILES notation for 2λ6-thia-1,9-diazaspiro[4.5]decane 2,2-dioxide?
The canonical SMILES for 2λ6-thia-1,9-diazaspiro[4.5]decane 2,2-dioxide is O=S1(=O)CCC2(CCCNC2)N1.
What is the InChIKey of 2λ6-thia-1,9-diazaspiro[4.5]decane 2,2-dioxide?
The InChIKey is MZSIIEAIZFTSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2S/c10-12(11)5-3-7(9-12)2-1-4-8-6-7/h8-9H,1-6H2.
What are the key properties of 2λ6-thia-1,9-diazaspiro[4.5]decane 2,2-dioxide?
2λ6-thia-1,9-diazaspiro[4.5]decane 2,2-dioxide has a molecular weight of 190.27 g/mol, XLogP of -0.57, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2λ6-thia-1,9-diazaspiro[4.5]decane 2,2-dioxide is sourced from PubChem (CID 175977076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).