9-thia-1-azaspiro[3.6]decane

C8H15NS — CID 118210650

IUPAC9-thia-1-azaspiro[3.6]decane
SMILESC1CCC2(CCN2)CSC1
InChIInChI=1S/C8H15NS/c1-2-6-10-7-8(3-1)4-5-9-8/h9H,1-7H2
InChIKeyQHSKWPPFTUQCTR-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.64
Rot. Bonds

About 9-thia-1-azaspiro[3.6]decane

9-thia-1-azaspiro[3.6]decane (PubChem CID 118210650) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 9-thia-1-azaspiro[3.6]decane.

Molecular Properties

Compound Name9-thia-1-azaspiro[3.6]decane
PubChem CID118210650
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name9-thia-1-azaspiro[3.6]decane
SMILESC1CCC2(CCN2)CSC1
InChIInChI=1S/C8H15NS/c1-2-6-10-7-8(3-1)4-5-9-8/h9H,1-7H2
InChIKeyQHSKWPPFTUQCTR-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 9-thia-1-azaspiro[3.6]decane?
The IUPAC name of 9-thia-1-azaspiro[3.6]decane (CID 118210650) is 9-thia-1-azaspiro[3.6]decane.
What is the SMILES notation for 9-thia-1-azaspiro[3.6]decane?
The canonical SMILES for 9-thia-1-azaspiro[3.6]decane is C1CCC2(CCN2)CSC1.
What is the InChIKey of 9-thia-1-azaspiro[3.6]decane?
The InChIKey is QHSKWPPFTUQCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-2-6-10-7-8(3-1)4-5-9-8/h9H,1-7H2.
What are the key properties of 9-thia-1-azaspiro[3.6]decane?
9-thia-1-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 9-thia-1-azaspiro[3.6]decane is sourced from PubChem (CID 118210650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).