1-thia-7-azaspiro[3.5]nonane;hydrochloride

C7H14ClNS — CID 155820186

IUPAC1-thia-7-azaspiro[3.5]nonane;hydrochloride
SMILESC1CC2(CCN1)CCS2.Cl
InChIInChI=1S/C7H13NS.ClH/c1-4-8-5-2-7(1)3-6-9-7;/h8H,1-6H2;1H
InChIKeyLMIPGFHISYUTQS-UHFFFAOYSA-N
MW179.72 g/mol
LogP1.67
Rot. Bonds

About 1-thia-7-azaspiro[3.5]nonane;hydrochloride

1-thia-7-azaspiro[3.5]nonane;hydrochloride (PubChem CID 155820186) has the molecular formula C7H14ClNS and a molecular weight of 179.72 g/mol. Its IUPAC name is 1-thia-7-azaspiro[3.5]nonane;hydrochloride.

Molecular Properties

Compound Name1-thia-7-azaspiro[3.5]nonane;hydrochloride
PubChem CID155820186
Molecular FormulaC7H14ClNS
Molecular Weight179.72 g/mol
Exact Mass179.05
IUPAC Name1-thia-7-azaspiro[3.5]nonane;hydrochloride
SMILESC1CC2(CCN1)CCS2.Cl
InChIInChI=1S/C7H13NS.ClH/c1-4-8-5-2-7(1)3-6-9-7;/h8H,1-6H2;1H
InChIKeyLMIPGFHISYUTQS-UHFFFAOYSA-N
XLogP1.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.72
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-thia-7-azaspiro[3.5]nonane;hydrochloride?
The IUPAC name of 1-thia-7-azaspiro[3.5]nonane;hydrochloride (CID 155820186) is 1-thia-7-azaspiro[3.5]nonane;hydrochloride.
What is the SMILES notation for 1-thia-7-azaspiro[3.5]nonane;hydrochloride?
The canonical SMILES for 1-thia-7-azaspiro[3.5]nonane;hydrochloride is C1CC2(CCN1)CCS2.Cl.
What is the InChIKey of 1-thia-7-azaspiro[3.5]nonane;hydrochloride?
The InChIKey is LMIPGFHISYUTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS.ClH/c1-4-8-5-2-7(1)3-6-9-7;/h8H,1-6H2;1H.
What are the key properties of 1-thia-7-azaspiro[3.5]nonane;hydrochloride?
1-thia-7-azaspiro[3.5]nonane;hydrochloride has a molecular weight of 179.72 g/mol, XLogP of 1.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thia-7-azaspiro[3.5]nonane;hydrochloride is sourced from PubChem (CID 155820186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).