8-methyl-5-oxa-2λ4-thia-8-azaspiro[3.5]nonane 2-oxide

C7H13NO2S — CID 155010335

IUPAC8-methyl-5-oxa-2λ4-thia-8-azaspiro[3.5]nonane 2-oxide
SMILESCN1CCOC2(C1)CS(=O)C2
InChIInChI=1S/C7H13NO2S/c1-8-2-3-10-7(4-8)5-11(9)6-7/h2-6H2,1H3
InChIKeyGXLXSUHOXBMFSG-UHFFFAOYSA-N
MW175.25 g/mol
LogP-0.55
Rot. Bonds

About 8-methyl-5-oxa-2λ4-thia-8-azaspiro[3.5]nonane 2-oxide

8-methyl-5-oxa-2λ4-thia-8-azaspiro[3.5]nonane 2-oxide (PubChem CID 155010335) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is 8-methyl-5-oxa-2λ4-thia-8-azaspiro[3.5]nonane 2-oxide.

Molecular Properties

Compound Name8-methyl-5-oxa-2λ4-thia-8-azaspiro[3.5]nonane 2-oxide
PubChem CID155010335
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name8-methyl-5-oxa-2λ4-thia-8-azaspiro[3.5]nonane 2-oxide
SMILESCN1CCOC2(C1)CS(=O)C2
InChIInChI=1S/C7H13NO2S/c1-8-2-3-10-7(4-8)5-11(9)6-7/h2-6H2,1H3
InChIKeyGXLXSUHOXBMFSG-UHFFFAOYSA-N
XLogP-0.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 5-0.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-methyl-5-oxa-2λ4-thia-8-azaspiro[3.5]nonane 2-oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-methyl-5-oxa-2λ4-thia-8-azaspiro[3.5]nonane 2-oxide?
The IUPAC name of 8-methyl-5-oxa-2λ4-thia-8-azaspiro[3.5]nonane 2-oxide (CID 155010335) is 8-methyl-5-oxa-2λ4-thia-8-azaspiro[3.5]nonane 2-oxide.
What is the SMILES notation for 8-methyl-5-oxa-2λ4-thia-8-azaspiro[3.5]nonane 2-oxide?
The canonical SMILES for 8-methyl-5-oxa-2λ4-thia-8-azaspiro[3.5]nonane 2-oxide is CN1CCOC2(C1)CS(=O)C2.
What is the InChIKey of 8-methyl-5-oxa-2λ4-thia-8-azaspiro[3.5]nonane 2-oxide?
The InChIKey is GXLXSUHOXBMFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-8-2-3-10-7(4-8)5-11(9)6-7/h2-6H2,1H3.
What are the key properties of 8-methyl-5-oxa-2λ4-thia-8-azaspiro[3.5]nonane 2-oxide?
8-methyl-5-oxa-2λ4-thia-8-azaspiro[3.5]nonane 2-oxide has a molecular weight of 175.25 g/mol, XLogP of -0.55, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-5-oxa-2λ4-thia-8-azaspiro[3.5]nonane 2-oxide is sourced from PubChem (CID 155010335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).