9-thia-1-azaspiro[4.5]decane;hydrochloride

C8H16ClNS — CID 126844154

IUPAC9-thia-1-azaspiro[4.5]decane;hydrochloride
SMILESC1CNC2(C1)CCCSC2.Cl
InChIInChI=1S/C8H15NS.ClH/c1-3-8(9-5-1)4-2-6-10-7-8;/h9H,1-7H2;1H
InChIKeyXEMHIJQPHDDIQV-UHFFFAOYSA-N
MW193.74 g/mol
LogP2.06
Rot. Bonds

About 9-thia-1-azaspiro[4.5]decane;hydrochloride

9-thia-1-azaspiro[4.5]decane;hydrochloride (PubChem CID 126844154) has the molecular formula C8H16ClNS and a molecular weight of 193.74 g/mol. Its IUPAC name is 9-thia-1-azaspiro[4.5]decane;hydrochloride.

Molecular Properties

Compound Name9-thia-1-azaspiro[4.5]decane;hydrochloride
PubChem CID126844154
Molecular FormulaC8H16ClNS
Molecular Weight193.74 g/mol
Exact Mass193.07
IUPAC Name9-thia-1-azaspiro[4.5]decane;hydrochloride
SMILESC1CNC2(C1)CCCSC2.Cl
InChIInChI=1S/C8H15NS.ClH/c1-3-8(9-5-1)4-2-6-10-7-8;/h9H,1-7H2;1H
InChIKeyXEMHIJQPHDDIQV-UHFFFAOYSA-N
XLogP2.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.74
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 9-thia-1-azaspiro[4.5]decane;hydrochloride 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 9-thia-1-azaspiro[4.5]decane;hydrochloride?
The IUPAC name of 9-thia-1-azaspiro[4.5]decane;hydrochloride (CID 126844154) is 9-thia-1-azaspiro[4.5]decane;hydrochloride.
What is the SMILES notation for 9-thia-1-azaspiro[4.5]decane;hydrochloride?
The canonical SMILES for 9-thia-1-azaspiro[4.5]decane;hydrochloride is C1CNC2(C1)CCCSC2.Cl.
What is the InChIKey of 9-thia-1-azaspiro[4.5]decane;hydrochloride?
The InChIKey is XEMHIJQPHDDIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS.ClH/c1-3-8(9-5-1)4-2-6-10-7-8;/h9H,1-7H2;1H.
What are the key properties of 9-thia-1-azaspiro[4.5]decane;hydrochloride?
9-thia-1-azaspiro[4.5]decane;hydrochloride has a molecular weight of 193.74 g/mol, XLogP of 2.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-thia-1-azaspiro[4.5]decane;hydrochloride is sourced from PubChem (CID 126844154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).