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

C8H16ClNS — CID 115019694

IUPAC8-thia-1-azaspiro[4.5]decane;hydrochloride
SMILESC1CNC2(C1)CCSCC2.Cl
InChIInChI=1S/C8H15NS.ClH/c1-2-8(9-5-1)3-6-10-7-4-8;/h9H,1-7H2;1H
InChIKeyJROIOKPANVSTSW-UHFFFAOYSA-N
MW193.74 g/mol
LogP2.06
Rot. Bonds

About 8-thia-1-azaspiro[4.5]decane;hydrochloride

8-thia-1-azaspiro[4.5]decane;hydrochloride (PubChem CID 115019694) has the molecular formula C8H16ClNS and a molecular weight of 193.74 g/mol. Its IUPAC name is 8-thia-1-azaspiro[4.5]decane;hydrochloride.

Molecular Properties

Compound Name8-thia-1-azaspiro[4.5]decane;hydrochloride
PubChem CID115019694
Molecular FormulaC8H16ClNS
Molecular Weight193.74 g/mol
Exact Mass193.07
IUPAC Name8-thia-1-azaspiro[4.5]decane;hydrochloride
SMILESC1CNC2(C1)CCSCC2.Cl
InChIInChI=1S/C8H15NS.ClH/c1-2-8(9-5-1)3-6-10-7-4-8;/h9H,1-7H2;1H
InChIKeyJROIOKPANVSTSW-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

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Frequently Asked Questions

What is the IUPAC name of 8-thia-1-azaspiro[4.5]decane;hydrochloride?
The IUPAC name of 8-thia-1-azaspiro[4.5]decane;hydrochloride (CID 115019694) is 8-thia-1-azaspiro[4.5]decane;hydrochloride.
What is the SMILES notation for 8-thia-1-azaspiro[4.5]decane;hydrochloride?
The canonical SMILES for 8-thia-1-azaspiro[4.5]decane;hydrochloride is C1CNC2(C1)CCSCC2.Cl.
What is the InChIKey of 8-thia-1-azaspiro[4.5]decane;hydrochloride?
The InChIKey is JROIOKPANVSTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS.ClH/c1-2-8(9-5-1)3-6-10-7-4-8;/h9H,1-7H2;1H.
What are the key properties of 8-thia-1-azaspiro[4.5]decane;hydrochloride?
8-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 8-thia-1-azaspiro[4.5]decane;hydrochloride is sourced from PubChem (CID 115019694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).