3-thia-9-azaspiro[5.5]undecane;hydrochloride

C9H18ClNS — CID 134690844

IUPAC3-thia-9-azaspiro[5.5]undecane;hydrochloride
SMILESC1CC2(CCN1)CCSCC2.Cl
InChIInChI=1S/C9H17NS.ClH/c1-5-10-6-2-9(1)3-7-11-8-4-9;/h10H,1-8H2;1H
InChIKeyDCCXKPLMTLIOCK-UHFFFAOYSA-N
MW207.77 g/mol
LogP2.31
Rot. Bonds

About 3-thia-9-azaspiro[5.5]undecane;hydrochloride

3-thia-9-azaspiro[5.5]undecane;hydrochloride (PubChem CID 134690844) has the molecular formula C9H18ClNS and a molecular weight of 207.77 g/mol. Its IUPAC name is 3-thia-9-azaspiro[5.5]undecane;hydrochloride.

Molecular Properties

Compound Name3-thia-9-azaspiro[5.5]undecane;hydrochloride
PubChem CID134690844
Molecular FormulaC9H18ClNS
Molecular Weight207.77 g/mol
Exact Mass207.08
IUPAC Name3-thia-9-azaspiro[5.5]undecane;hydrochloride
SMILESC1CC2(CCN1)CCSCC2.Cl
InChIInChI=1S/C9H17NS.ClH/c1-5-10-6-2-9(1)3-7-11-8-4-9;/h10H,1-8H2;1H
InChIKeyDCCXKPLMTLIOCK-UHFFFAOYSA-N
XLogP2.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.77
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-thia-9-azaspiro[5.5]undecane;hydrochloride?
The IUPAC name of 3-thia-9-azaspiro[5.5]undecane;hydrochloride (CID 134690844) is 3-thia-9-azaspiro[5.5]undecane;hydrochloride.
What is the SMILES notation for 3-thia-9-azaspiro[5.5]undecane;hydrochloride?
The canonical SMILES for 3-thia-9-azaspiro[5.5]undecane;hydrochloride is C1CC2(CCN1)CCSCC2.Cl.
What is the InChIKey of 3-thia-9-azaspiro[5.5]undecane;hydrochloride?
The InChIKey is DCCXKPLMTLIOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS.ClH/c1-5-10-6-2-9(1)3-7-11-8-4-9;/h10H,1-8H2;1H.
What are the key properties of 3-thia-9-azaspiro[5.5]undecane;hydrochloride?
3-thia-9-azaspiro[5.5]undecane;hydrochloride has a molecular weight of 207.77 g/mol, XLogP of 2.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thia-9-azaspiro[5.5]undecane;hydrochloride is sourced from PubChem (CID 134690844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).