2-thia-5-azaspiro[3.5]nonane

C7H13NS — CID 82417840

IUPAC2-thia-5-azaspiro[3.5]nonane
SMILESC1CCC2(CSC2)NC1
InChIInChI=1S/C7H13NS/c1-2-4-8-7(3-1)5-9-6-7/h8H,1-6H2
InChIKeyGTFFQCBUJURVFP-UHFFFAOYSA-N
MW143.25 g/mol
LogP1.25
Rot. Bonds

About 2-thia-5-azaspiro[3.5]nonane

2-thia-5-azaspiro[3.5]nonane (PubChem CID 82417840) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 2-thia-5-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-thia-5-azaspiro[3.5]nonane
PubChem CID82417840
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name2-thia-5-azaspiro[3.5]nonane
SMILESC1CCC2(CSC2)NC1
InChIInChI=1S/C7H13NS/c1-2-4-8-7(3-1)5-9-6-7/h8H,1-6H2
InChIKeyGTFFQCBUJURVFP-UHFFFAOYSA-N
XLogP1.25
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 ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-thia-5-azaspiro[3.5]nonane?
The IUPAC name of 2-thia-5-azaspiro[3.5]nonane (CID 82417840) is 2-thia-5-azaspiro[3.5]nonane.
What is the SMILES notation for 2-thia-5-azaspiro[3.5]nonane?
The canonical SMILES for 2-thia-5-azaspiro[3.5]nonane is C1CCC2(CSC2)NC1.
What is the InChIKey of 2-thia-5-azaspiro[3.5]nonane?
The InChIKey is GTFFQCBUJURVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-2-4-8-7(3-1)5-9-6-7/h8H,1-6H2.
What are the key properties of 2-thia-5-azaspiro[3.5]nonane?
2-thia-5-azaspiro[3.5]nonane has a molecular weight of 143.25 g/mol, XLogP of 1.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thia-5-azaspiro[3.5]nonane is sourced from PubChem (CID 82417840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).