6λ4-thia-9-azaspiro[4.5]decane 6-oxide

C8H15NOS — CID 22417163

IUPAC6λ4-thia-9-azaspiro[4.5]decane 6-oxide
SMILESO=S1CCNCC12CCCC2
InChIInChI=1S/C8H15NOS/c10-11-6-5-9-7-8(11)3-1-2-4-8/h9H,1-7H2
InChIKeyBMPMOYHRZIJKEV-UHFFFAOYSA-N
MW173.28 g/mol
LogP0.65
Rot. Bonds

About 6λ4-thia-9-azaspiro[4.5]decane 6-oxide

6λ4-thia-9-azaspiro[4.5]decane 6-oxide (PubChem CID 22417163) has the molecular formula C8H15NOS and a molecular weight of 173.28 g/mol. Its IUPAC name is 6λ4-thia-9-azaspiro[4.5]decane 6-oxide.

Molecular Properties

Compound Name6λ4-thia-9-azaspiro[4.5]decane 6-oxide
PubChem CID22417163
Molecular FormulaC8H15NOS
Molecular Weight173.28 g/mol
Exact Mass173.09
IUPAC Name6λ4-thia-9-azaspiro[4.5]decane 6-oxide
SMILESO=S1CCNCC12CCCC2
InChIInChI=1S/C8H15NOS/c10-11-6-5-9-7-8(11)3-1-2-4-8/h9H,1-7H2
InChIKeyBMPMOYHRZIJKEV-UHFFFAOYSA-N
XLogP0.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-azadispiro[3.0.45.34]dodecane
CID 83905512
7-azaspiro[4.6]undecane
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CID 170601553
7-azaspiro[4.6]undecane;hydrochloride
CID 138039788
12-azadispiro[3.1.46.34]tridecane
CID 130118799
3-fluoropyrrolidine-3-carbaldehyde
CID 89379154
6λ4-thia-2-azaspiro[3.4]octane 6-oxide
CID 139492801
2-azaspiro[3.3]heptane
CID 20521856
6-thia-9-azaspiro[3.6]decan-5-one
CID 115100269
(5R)-2,9-diazaspiro[4.5]decane
CID 86326439
2,2-dimethylthiolane 1-oxide
CID 54564152
ethane;1,3-thiazolidine 1-oxide
CID 143427160

Frequently Asked Questions

What is the IUPAC name of 6λ4-thia-9-azaspiro[4.5]decane 6-oxide?
The IUPAC name of 6λ4-thia-9-azaspiro[4.5]decane 6-oxide (CID 22417163) is 6λ4-thia-9-azaspiro[4.5]decane 6-oxide.
What is the SMILES notation for 6λ4-thia-9-azaspiro[4.5]decane 6-oxide?
The canonical SMILES for 6λ4-thia-9-azaspiro[4.5]decane 6-oxide is O=S1CCNCC12CCCC2.
What is the InChIKey of 6λ4-thia-9-azaspiro[4.5]decane 6-oxide?
The InChIKey is BMPMOYHRZIJKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS/c10-11-6-5-9-7-8(11)3-1-2-4-8/h9H,1-7H2.
What are the key properties of 6λ4-thia-9-azaspiro[4.5]decane 6-oxide?
6λ4-thia-9-azaspiro[4.5]decane 6-oxide has a molecular weight of 173.28 g/mol, XLogP of 0.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6λ4-thia-9-azaspiro[4.5]decane 6-oxide is sourced from PubChem (CID 22417163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).