7-(2-methoxyethyl)-1-thia-4,7-diazaspiro[4.4]nonane

C9H18N2OS — CID 130645894

IUPAC7-(2-methoxyethyl)-1-thia-4,7-diazaspiro[4.4]nonane
SMILESCOCCN1CCC2(C1)NCCS2
InChIInChI=1S/C9H18N2OS/c1-12-6-5-11-4-2-9(8-11)10-3-7-13-9/h10H,2-8H2,1H3
InChIKeyOAHXVJRPSCGULU-UHFFFAOYSA-N
MW202.32 g/mol
LogP0.37
Rot. Bonds3

About 7-(2-methoxyethyl)-1-thia-4,7-diazaspiro[4.4]nonane

7-(2-methoxyethyl)-1-thia-4,7-diazaspiro[4.4]nonane (PubChem CID 130645894) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is 7-(2-methoxyethyl)-1-thia-4,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name7-(2-methoxyethyl)-1-thia-4,7-diazaspiro[4.4]nonane
PubChem CID130645894
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Name7-(2-methoxyethyl)-1-thia-4,7-diazaspiro[4.4]nonane
SMILESCOCCN1CCC2(C1)NCCS2
InChIInChI=1S/C9H18N2OS/c1-12-6-5-11-4-2-9(8-11)10-3-7-13-9/h10H,2-8H2,1H3
InChIKeyOAHXVJRPSCGULU-UHFFFAOYSA-N
XLogP0.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-(2-methoxyethyl)-1-thia-4,7-diazaspiro[4.4]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 7-(2-methoxyethyl)-1-thia-4,7-diazaspiro[4.4]nonane?
The IUPAC name of 7-(2-methoxyethyl)-1-thia-4,7-diazaspiro[4.4]nonane (CID 130645894) is 7-(2-methoxyethyl)-1-thia-4,7-diazaspiro[4.4]nonane.
What is the SMILES notation for 7-(2-methoxyethyl)-1-thia-4,7-diazaspiro[4.4]nonane?
The canonical SMILES for 7-(2-methoxyethyl)-1-thia-4,7-diazaspiro[4.4]nonane is COCCN1CCC2(C1)NCCS2.
What is the InChIKey of 7-(2-methoxyethyl)-1-thia-4,7-diazaspiro[4.4]nonane?
The InChIKey is OAHXVJRPSCGULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-12-6-5-11-4-2-9(8-11)10-3-7-13-9/h10H,2-8H2,1H3.
What are the key properties of 7-(2-methoxyethyl)-1-thia-4,7-diazaspiro[4.4]nonane?
7-(2-methoxyethyl)-1-thia-4,7-diazaspiro[4.4]nonane has a molecular weight of 202.32 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyethyl)-1-thia-4,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 130645894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).