2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide

C5H9NO2S — CID 55279073

IUPAC2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide
SMILESO=S1(=O)CC2(CNC2)C1
InChIInChI=1S/C5H9NO2S/c7-9(8)3-5(4-9)1-6-2-5/h6H,1-4H2
InChIKeyLXBXLDOZHMVJNC-UHFFFAOYSA-N
MW147.20 g/mol
LogP-1.00
Rot. Bonds

About 2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide

2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide (PubChem CID 55279073) has the molecular formula C5H9NO2S and a molecular weight of 147.20 g/mol. Its IUPAC name is 2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide.

Molecular Properties

Compound Name2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide
PubChem CID55279073
Molecular FormulaC5H9NO2S
Molecular Weight147.20 g/mol
Exact Mass147.04
IUPAC Name2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide
SMILESO=S1(=O)CC2(CNC2)C1
InChIInChI=1S/C5H9NO2S/c7-9(8)3-5(4-9)1-6-2-5/h6H,1-4H2
InChIKeyLXBXLDOZHMVJNC-UHFFFAOYSA-N
XLogP-1.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.20
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide?
The IUPAC name of 2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide (CID 55279073) is 2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide.
What is the SMILES notation for 2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide?
The canonical SMILES for 2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide is O=S1(=O)CC2(CNC2)C1.
What is the InChIKey of 2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide?
The InChIKey is LXBXLDOZHMVJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2S/c7-9(8)3-5(4-9)1-6-2-5/h6H,1-4H2.
What are the key properties of 2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide?
2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide has a molecular weight of 147.20 g/mol, XLogP of -1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide is sourced from PubChem (CID 55279073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).