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

C8H15NOS — CID 176939886

IUPAC6-methyl-2λ4-thia-7-azaspiro[3.5]nonane 2-oxide
SMILESCC1CC2(CCN1)CS(=O)C2
InChIInChI=1S/C8H15NOS/c1-7-4-8(2-3-9-7)5-11(10)6-8/h7,9H,2-6H2,1H3
InChIKeyKVENDEUMGUPMQG-UHFFFAOYSA-N
MW173.28 g/mol
LogP0.51
Rot. Bonds

About 6-methyl-2λ4-thia-7-azaspiro[3.5]nonane 2-oxide

6-methyl-2λ4-thia-7-azaspiro[3.5]nonane 2-oxide (PubChem CID 176939886) has the molecular formula C8H15NOS and a molecular weight of 173.28 g/mol. Its IUPAC name is 6-methyl-2λ4-thia-7-azaspiro[3.5]nonane 2-oxide.

Molecular Properties

Compound Name6-methyl-2λ4-thia-7-azaspiro[3.5]nonane 2-oxide
PubChem CID176939886
Molecular FormulaC8H15NOS
Molecular Weight173.28 g/mol
Exact Mass173.09
IUPAC Name6-methyl-2λ4-thia-7-azaspiro[3.5]nonane 2-oxide
SMILESCC1CC2(CCN1)CS(=O)C2
InChIInChI=1S/C8H15NOS/c1-7-4-8(2-3-9-7)5-11(10)6-8/h7,9H,2-6H2,1H3
InChIKeyKVENDEUMGUPMQG-UHFFFAOYSA-N
XLogP0.51
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 ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2λ4-thia-7-azaspiro[3.5]nonane 2-oxide?
The IUPAC name of 6-methyl-2λ4-thia-7-azaspiro[3.5]nonane 2-oxide (CID 176939886) is 6-methyl-2λ4-thia-7-azaspiro[3.5]nonane 2-oxide.
What is the SMILES notation for 6-methyl-2λ4-thia-7-azaspiro[3.5]nonane 2-oxide?
The canonical SMILES for 6-methyl-2λ4-thia-7-azaspiro[3.5]nonane 2-oxide is CC1CC2(CCN1)CS(=O)C2.
What is the InChIKey of 6-methyl-2λ4-thia-7-azaspiro[3.5]nonane 2-oxide?
The InChIKey is KVENDEUMGUPMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS/c1-7-4-8(2-3-9-7)5-11(10)6-8/h7,9H,2-6H2,1H3.
What are the key properties of 6-methyl-2λ4-thia-7-azaspiro[3.5]nonane 2-oxide?
6-methyl-2λ4-thia-7-azaspiro[3.5]nonane 2-oxide has a molecular weight of 173.28 g/mol, XLogP of 0.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2λ4-thia-7-azaspiro[3.5]nonane 2-oxide is sourced from PubChem (CID 176939886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).