2λ4-thia-6-azaspiro[3.3]heptane 2-oxide

C5H9NOS — CID 55279072

IUPAC2λ4-thia-6-azaspiro[3.3]heptane 2-oxide
SMILESO=S1CC2(CNC2)C1
InChIInChI=1S/C5H9NOS/c7-8-3-5(4-8)1-6-2-5/h6H,1-4H2
InChIKeyYSYFHRIMYHBTIO-UHFFFAOYSA-N
MW131.20 g/mol
LogP-0.66
Rot. Bonds

About 2λ4-thia-6-azaspiro[3.3]heptane 2-oxide

2λ4-thia-6-azaspiro[3.3]heptane 2-oxide (PubChem CID 55279072) has the molecular formula C5H9NOS and a molecular weight of 131.20 g/mol. Its IUPAC name is 2λ4-thia-6-azaspiro[3.3]heptane 2-oxide.

Molecular Properties

Compound Name2λ4-thia-6-azaspiro[3.3]heptane 2-oxide
PubChem CID55279072
Molecular FormulaC5H9NOS
Molecular Weight131.20 g/mol
Exact Mass131.04
IUPAC Name2λ4-thia-6-azaspiro[3.3]heptane 2-oxide
SMILESO=S1CC2(CNC2)C1
InChIInChI=1S/C5H9NOS/c7-8-3-5(4-8)1-6-2-5/h6H,1-4H2
InChIKeyYSYFHRIMYHBTIO-UHFFFAOYSA-N
XLogP-0.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.20
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2λ4-thia-6-azaspiro[3.3]heptane 2-oxide?
The IUPAC name of 2λ4-thia-6-azaspiro[3.3]heptane 2-oxide (CID 55279072) is 2λ4-thia-6-azaspiro[3.3]heptane 2-oxide.
What is the SMILES notation for 2λ4-thia-6-azaspiro[3.3]heptane 2-oxide?
The canonical SMILES for 2λ4-thia-6-azaspiro[3.3]heptane 2-oxide is O=S1CC2(CNC2)C1.
What is the InChIKey of 2λ4-thia-6-azaspiro[3.3]heptane 2-oxide?
The InChIKey is YSYFHRIMYHBTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NOS/c7-8-3-5(4-8)1-6-2-5/h6H,1-4H2.
What are the key properties of 2λ4-thia-6-azaspiro[3.3]heptane 2-oxide?
2λ4-thia-6-azaspiro[3.3]heptane 2-oxide has a molecular weight of 131.20 g/mol, XLogP of -0.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2λ4-thia-6-azaspiro[3.3]heptane 2-oxide is sourced from PubChem (CID 55279072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).