2-methyl-7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide

C8H15NO2S — CID 123525091

IUPAC2-methyl-7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide
SMILESCN1CC2(CCS(=O)(=O)CC2)C1
InChIInChI=1S/C8H15NO2S/c1-9-6-8(7-9)2-4-12(10,11)5-3-8/h2-7H2,1H3
InChIKeyRMWOHIYVEZWHRR-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.13
Rot. Bonds

About 2-methyl-7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide

2-methyl-7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide (PubChem CID 123525091) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is 2-methyl-7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide.

Molecular Properties

Compound Name2-methyl-7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide
PubChem CID123525091
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name2-methyl-7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide
SMILESCN1CC2(CCS(=O)(=O)CC2)C1
InChIInChI=1S/C8H15NO2S/c1-9-6-8(7-9)2-4-12(10,11)5-3-8/h2-7H2,1H3
InChIKeyRMWOHIYVEZWHRR-UHFFFAOYSA-N
XLogP0.13
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methyl-7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide 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 2-methyl-7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide?
The IUPAC name of 2-methyl-7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide (CID 123525091) is 2-methyl-7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide.
What is the SMILES notation for 2-methyl-7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide?
The canonical SMILES for 2-methyl-7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide is CN1CC2(CCS(=O)(=O)CC2)C1.
What is the InChIKey of 2-methyl-7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide?
The InChIKey is RMWOHIYVEZWHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-9-6-8(7-9)2-4-12(10,11)5-3-8/h2-7H2,1H3.
What are the key properties of 2-methyl-7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide?
2-methyl-7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide has a molecular weight of 189.28 g/mol, XLogP of 0.13, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide is sourced from PubChem (CID 123525091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).