1-thia-4-azaspiro[4.4]nonane

C7H13NS — CID 50853175

IUPAC1-thia-4-azaspiro[4.4]nonane
SMILESC1CCC2(C1)NCCS2
InChIInChI=1S/C7H13NS/c1-2-4-7(3-1)8-5-6-9-7/h8H,1-6H2
InChIKeyYNGQTZNAFYTZNB-UHFFFAOYSA-N
MW143.25 g/mol
LogP1.59
Rot. Bonds

About 1-thia-4-azaspiro[4.4]nonane

1-thia-4-azaspiro[4.4]nonane (PubChem CID 50853175) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 1-thia-4-azaspiro[4.4]nonane.

Molecular Properties

Compound Name1-thia-4-azaspiro[4.4]nonane
PubChem CID50853175
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name1-thia-4-azaspiro[4.4]nonane
SMILESC1CCC2(C1)NCCS2
InChIInChI=1S/C7H13NS/c1-2-4-7(3-1)8-5-6-9-7/h8H,1-6H2
InChIKeyYNGQTZNAFYTZNB-UHFFFAOYSA-N
XLogP1.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-thia-4-azaspiro[4.4]nonane?
The IUPAC name of 1-thia-4-azaspiro[4.4]nonane (CID 50853175) is 1-thia-4-azaspiro[4.4]nonane.
What is the SMILES notation for 1-thia-4-azaspiro[4.4]nonane?
The canonical SMILES for 1-thia-4-azaspiro[4.4]nonane is C1CCC2(C1)NCCS2.
What is the InChIKey of 1-thia-4-azaspiro[4.4]nonane?
The InChIKey is YNGQTZNAFYTZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-2-4-7(3-1)8-5-6-9-7/h8H,1-6H2.
What are the key properties of 1-thia-4-azaspiro[4.4]nonane?
1-thia-4-azaspiro[4.4]nonane has a molecular weight of 143.25 g/mol, XLogP of 1.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thia-4-azaspiro[4.4]nonane is sourced from PubChem (CID 50853175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).