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

C7H13NOS — CID 155010363

IUPAC8-methyl-5-oxa-2-thia-8-azaspiro[3.5]nonane
SMILESCN1CCOC2(CSC2)C1
InChIInChI=1S/C7H13NOS/c1-8-2-3-9-7(4-8)5-10-6-7/h2-6H2,1H3
InChIKeyHMJOCXVJESXVMV-UHFFFAOYSA-N
MW159.25 g/mol
LogP0.43
Rot. Bonds

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

8-methyl-5-oxa-2-thia-8-azaspiro[3.5]nonane (PubChem CID 155010363) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is 8-methyl-5-oxa-2-thia-8-azaspiro[3.5]nonane.

Molecular Properties

Compound Name8-methyl-5-oxa-2-thia-8-azaspiro[3.5]nonane
PubChem CID155010363
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC Name8-methyl-5-oxa-2-thia-8-azaspiro[3.5]nonane
SMILESCN1CCOC2(CSC2)C1
InChIInChI=1S/C7H13NOS/c1-8-2-3-9-7(4-8)5-10-6-7/h2-6H2,1H3
InChIKeyHMJOCXVJESXVMV-UHFFFAOYSA-N
XLogP0.43
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-methyl-5-oxa-2-thia-8-azaspiro[3.5]nonane 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-2-thia-8-azaspiro[3.5]nonane?
The IUPAC name of 8-methyl-5-oxa-2-thia-8-azaspiro[3.5]nonane (CID 155010363) is 8-methyl-5-oxa-2-thia-8-azaspiro[3.5]nonane.
What is the SMILES notation for 8-methyl-5-oxa-2-thia-8-azaspiro[3.5]nonane?
The canonical SMILES for 8-methyl-5-oxa-2-thia-8-azaspiro[3.5]nonane is CN1CCOC2(CSC2)C1.
What is the InChIKey of 8-methyl-5-oxa-2-thia-8-azaspiro[3.5]nonane?
The InChIKey is HMJOCXVJESXVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS/c1-8-2-3-9-7(4-8)5-10-6-7/h2-6H2,1H3.
What are the key properties of 8-methyl-5-oxa-2-thia-8-azaspiro[3.5]nonane?
8-methyl-5-oxa-2-thia-8-azaspiro[3.5]nonane has a molecular weight of 159.25 g/mol, XLogP of 0.43, 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-2-thia-8-azaspiro[3.5]nonane is sourced from PubChem (CID 155010363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).