6λ4-thia-2-azaspiro[3.4]octane 6-oxide

C6H11NOS — CID 139492801

IUPAC6λ4-thia-2-azaspiro[3.4]octane 6-oxide
SMILESO=S1CCC2(CNC2)C1
InChIInChI=1S/C6H11NOS/c8-9-2-1-6(5-9)3-7-4-6/h7H,1-5H2
InChIKeyBEPSDZJRIKSHRL-UHFFFAOYSA-N
MW145.23 g/mol
LogP-0.27
Rot. Bonds

About 6λ4-thia-2-azaspiro[3.4]octane 6-oxide

6λ4-thia-2-azaspiro[3.4]octane 6-oxide (PubChem CID 139492801) has the molecular formula C6H11NOS and a molecular weight of 145.23 g/mol. Its IUPAC name is 6λ4-thia-2-azaspiro[3.4]octane 6-oxide.

Molecular Properties

Compound Name6λ4-thia-2-azaspiro[3.4]octane 6-oxide
PubChem CID139492801
Molecular FormulaC6H11NOS
Molecular Weight145.23 g/mol
Exact Mass145.06
IUPAC Name6λ4-thia-2-azaspiro[3.4]octane 6-oxide
SMILESO=S1CCC2(CNC2)C1
InChIInChI=1S/C6H11NOS/c8-9-2-1-6(5-9)3-7-4-6/h7H,1-5H2
InChIKeyBEPSDZJRIKSHRL-UHFFFAOYSA-N
XLogP-0.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 156806042
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2-azaspiro[3.3]heptane
CID 20521856
3-azatricyclo[3.1.1.11,5]octane
CID 105426981
N,3-dimethyl-1-oxothiolan-3-amine
CID 162359004
6,6-dimethyl-2-aza-6-azoniaspiro[3.4]octane
CID 123751773
6-methyl-2λ4-thia-7-azaspiro[3.5]nonane 2-oxide
CID 176939886
2,7-diazaspiro[3.4]octane;ethane
CID 171068778
6-oxa-2λ4-thiaspiro[3.3]heptane 2-oxide
CID 86248405
12-azadispiro[3.1.46.34]tridecane
CID 130118799
2,7-diazaspiro[3.4]octane;ethane
CID 143687523
ethane;6-methyl-2λ4-thia-7-azaspiro[3.5]nonane 2-oxide
CID 176939885

Frequently Asked Questions

What is the IUPAC name of 6λ4-thia-2-azaspiro[3.4]octane 6-oxide?
The IUPAC name of 6λ4-thia-2-azaspiro[3.4]octane 6-oxide (CID 139492801) is 6λ4-thia-2-azaspiro[3.4]octane 6-oxide.
What is the SMILES notation for 6λ4-thia-2-azaspiro[3.4]octane 6-oxide?
The canonical SMILES for 6λ4-thia-2-azaspiro[3.4]octane 6-oxide is O=S1CCC2(CNC2)C1.
What is the InChIKey of 6λ4-thia-2-azaspiro[3.4]octane 6-oxide?
The InChIKey is BEPSDZJRIKSHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NOS/c8-9-2-1-6(5-9)3-7-4-6/h7H,1-5H2.
What are the key properties of 6λ4-thia-2-azaspiro[3.4]octane 6-oxide?
6λ4-thia-2-azaspiro[3.4]octane 6-oxide has a molecular weight of 145.23 g/mol, XLogP of -0.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6λ4-thia-2-azaspiro[3.4]octane 6-oxide is sourced from PubChem (CID 139492801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).