8-thia-5-azaspiro[3.6]decane

C8H15NS — CID 118210210

IUPAC8-thia-5-azaspiro[3.6]decane
SMILESC1CC2(C1)CCSCCN2
InChIInChI=1S/C8H15NS/c1-2-8(3-1)4-6-10-7-5-9-8/h9H,1-7H2
InChIKeyORTAHWKFVZAAFC-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.64
Rot. Bonds

About 8-thia-5-azaspiro[3.6]decane

8-thia-5-azaspiro[3.6]decane (PubChem CID 118210210) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 8-thia-5-azaspiro[3.6]decane.

Molecular Properties

Compound Name8-thia-5-azaspiro[3.6]decane
PubChem CID118210210
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name8-thia-5-azaspiro[3.6]decane
SMILESC1CC2(C1)CCSCCN2
InChIInChI=1S/C8H15NS/c1-2-8(3-1)4-6-10-7-5-9-8/h9H,1-7H2
InChIKeyORTAHWKFVZAAFC-UHFFFAOYSA-N
XLogP1.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-thia-5-azaspiro[3.6]decane?
The IUPAC name of 8-thia-5-azaspiro[3.6]decane (CID 118210210) is 8-thia-5-azaspiro[3.6]decane.
What is the SMILES notation for 8-thia-5-azaspiro[3.6]decane?
The canonical SMILES for 8-thia-5-azaspiro[3.6]decane is C1CC2(C1)CCSCCN2.
What is the InChIKey of 8-thia-5-azaspiro[3.6]decane?
The InChIKey is ORTAHWKFVZAAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-2-8(3-1)4-6-10-7-5-9-8/h9H,1-7H2.
What are the key properties of 8-thia-5-azaspiro[3.6]decane?
8-thia-5-azaspiro[3.6]decane has a molecular weight of 157.28 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-thia-5-azaspiro[3.6]decane is sourced from PubChem (CID 118210210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).