4-thia-7-azaspiro[2.5]octane

C6H11NS — CID 22417199

IUPAC4-thia-7-azaspiro[2.5]octane
SMILESC1CSC2(CC2)CN1
InChIInChI=1S/C6H11NS/c1-2-6(1)5-7-3-4-8-6/h7H,1-5H2
InChIKeyIYVRGVCPXGJHKL-UHFFFAOYSA-N
MW129.23 g/mol
LogP0.86
Rot. Bonds

About 4-thia-7-azaspiro[2.5]octane

4-thia-7-azaspiro[2.5]octane (PubChem CID 22417199) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is 4-thia-7-azaspiro[2.5]octane.

Molecular Properties

Compound Name4-thia-7-azaspiro[2.5]octane
PubChem CID22417199
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name4-thia-7-azaspiro[2.5]octane
SMILESC1CSC2(CC2)CN1
InChIInChI=1S/C6H11NS/c1-2-6(1)5-7-3-4-8-6/h7H,1-5H2
InChIKeyIYVRGVCPXGJHKL-UHFFFAOYSA-N
XLogP0.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-thia-7-azaspiro[2.5]octane with MolForge

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

Launch Full Analysis

Related Compounds

5-thia-2-azaspiro[3.6]decane
CID 118210225
9-[bis(4-fluorophenyl)methyl]-1-thia-4,9-diazaspiro[5.5]undecane
CID 118962942
2,2-dimethylthiomorpholine;hydrochloride
CID 169438697
1-thia-7-azaspiro[3.5]nonane
CID 118209775
2-azaspiro[4.5]decane;butane;ethane;ethene;1-thia-4,8-diazaspiro[5.5]undecane
CID 143190986
6,10-dithia-2-azaspiro[4.5]decane
CID 45158739
1-thia-4-azaspiro[4.4]nonane
CID 50853175
8-thia-3,11-diazaspiro[5.6]dodecane
CID 23135364
6-methyl-6-propan-2-yl-1,4-thiazepane
CID 144812802
1-thia-4,8-diazaspiro[4.5]decane
CID 22467178
1-thia-4-azaspiro[4.7]dodecane
CID 66525255
1-thia-4-azaspiro[4.5]decane
CID 14155910

Frequently Asked Questions

What is the IUPAC name of 4-thia-7-azaspiro[2.5]octane?
The IUPAC name of 4-thia-7-azaspiro[2.5]octane (CID 22417199) is 4-thia-7-azaspiro[2.5]octane.
What is the SMILES notation for 4-thia-7-azaspiro[2.5]octane?
The canonical SMILES for 4-thia-7-azaspiro[2.5]octane is C1CSC2(CC2)CN1.
What is the InChIKey of 4-thia-7-azaspiro[2.5]octane?
The InChIKey is IYVRGVCPXGJHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS/c1-2-6(1)5-7-3-4-8-6/h7H,1-5H2.
What are the key properties of 4-thia-7-azaspiro[2.5]octane?
4-thia-7-azaspiro[2.5]octane has a molecular weight of 129.23 g/mol, XLogP of 0.86, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thia-7-azaspiro[2.5]octane is sourced from PubChem (CID 22417199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).