7λ4-thia-2-azaspiro[3.5]nonane 7-oxide

C7H13NOS — CID 118185530

IUPAC7λ4-thia-2-azaspiro[3.5]nonane 7-oxide
SMILESO=S1CCC2(CC1)CNC2
InChIInChI=1S/C7H13NOS/c9-10-3-1-7(2-4-10)5-8-6-7/h8H,1-6H2
InChIKeyMDXKDJRSAGGXGH-UHFFFAOYSA-N
MW159.25 g/mol
LogP0.12
Rot. Bonds

About 7λ4-thia-2-azaspiro[3.5]nonane 7-oxide

7λ4-thia-2-azaspiro[3.5]nonane 7-oxide (PubChem CID 118185530) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is 7λ4-thia-2-azaspiro[3.5]nonane 7-oxide.

Molecular Properties

Compound Name7λ4-thia-2-azaspiro[3.5]nonane 7-oxide
PubChem CID118185530
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC Name7λ4-thia-2-azaspiro[3.5]nonane 7-oxide
SMILESO=S1CCC2(CC1)CNC2
InChIInChI=1S/C7H13NOS/c9-10-3-1-7(2-4-10)5-8-6-7/h8H,1-6H2
InChIKeyMDXKDJRSAGGXGH-UHFFFAOYSA-N
XLogP0.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7λ4-thia-2-azaspiro[3.5]nonane 7-oxide?
The IUPAC name of 7λ4-thia-2-azaspiro[3.5]nonane 7-oxide (CID 118185530) is 7λ4-thia-2-azaspiro[3.5]nonane 7-oxide.
What is the SMILES notation for 7λ4-thia-2-azaspiro[3.5]nonane 7-oxide?
The canonical SMILES for 7λ4-thia-2-azaspiro[3.5]nonane 7-oxide is O=S1CCC2(CC1)CNC2.
What is the InChIKey of 7λ4-thia-2-azaspiro[3.5]nonane 7-oxide?
The InChIKey is MDXKDJRSAGGXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS/c9-10-3-1-7(2-4-10)5-8-6-7/h8H,1-6H2.
What are the key properties of 7λ4-thia-2-azaspiro[3.5]nonane 7-oxide?
7λ4-thia-2-azaspiro[3.5]nonane 7-oxide has a molecular weight of 159.25 g/mol, XLogP of 0.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7λ4-thia-2-azaspiro[3.5]nonane 7-oxide is sourced from PubChem (CID 118185530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).