2-thia-7-azaspiro[4.4]nonane

C7H13NS — CID 62354173

IUPAC2-thia-7-azaspiro[4.4]nonane
SMILESC1CC2(CCSC2)CN1
InChIInChI=1S/C7H13NS/c1-3-8-5-7(1)2-4-9-6-7/h8H,1-6H2
InChIKeyOCRHRSROOZDUMT-UHFFFAOYSA-N
MW143.25 g/mol
LogP1.10
Rot. Bonds

About 2-thia-7-azaspiro[4.4]nonane

2-thia-7-azaspiro[4.4]nonane (PubChem CID 62354173) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 2-thia-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name2-thia-7-azaspiro[4.4]nonane
PubChem CID62354173
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name2-thia-7-azaspiro[4.4]nonane
SMILESC1CC2(CCSC2)CN1
InChIInChI=1S/C7H13NS/c1-3-8-5-7(1)2-4-9-6-7/h8H,1-6H2
InChIKeyOCRHRSROOZDUMT-UHFFFAOYSA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-thia-7-azaspiro[4.4]nonane?
The IUPAC name of 2-thia-7-azaspiro[4.4]nonane (CID 62354173) is 2-thia-7-azaspiro[4.4]nonane.
What is the SMILES notation for 2-thia-7-azaspiro[4.4]nonane?
The canonical SMILES for 2-thia-7-azaspiro[4.4]nonane is C1CC2(CCSC2)CN1.
What is the InChIKey of 2-thia-7-azaspiro[4.4]nonane?
The InChIKey is OCRHRSROOZDUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-3-8-5-7(1)2-4-9-6-7/h8H,1-6H2.
What are the key properties of 2-thia-7-azaspiro[4.4]nonane?
2-thia-7-azaspiro[4.4]nonane has a molecular weight of 143.25 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thia-7-azaspiro[4.4]nonane is sourced from PubChem (CID 62354173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).