6-phenyl-2-thia-8-azaspiro[4.5]decane

C14H19NS — CID 79309118

IUPAC6-phenyl-2-thia-8-azaspiro[4.5]decane
SMILESc1ccc(C2CNCCC23CCSC3)cc1
InChIInChI=1S/C14H19NS/c1-2-4-12(5-3-1)13-10-15-8-6-14(13)7-9-16-11-14/h1-5,13,15H,6-11H2
InChIKeyCGQSSFUSNHYNDT-UHFFFAOYSA-N
MW233.38 g/mol
LogP2.89
Rot. Bonds1

About 6-phenyl-2-thia-8-azaspiro[4.5]decane

6-phenyl-2-thia-8-azaspiro[4.5]decane (PubChem CID 79309118) has the molecular formula C14H19NS and a molecular weight of 233.38 g/mol. Its IUPAC name is 6-phenyl-2-thia-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name6-phenyl-2-thia-8-azaspiro[4.5]decane
PubChem CID79309118
Molecular FormulaC14H19NS
Molecular Weight233.38 g/mol
Exact Mass233.12
IUPAC Name6-phenyl-2-thia-8-azaspiro[4.5]decane
SMILESc1ccc(C2CNCCC23CCSC3)cc1
InChIInChI=1S/C14H19NS/c1-2-4-12(5-3-1)13-10-15-8-6-14(13)7-9-16-11-14/h1-5,13,15H,6-11H2
InChIKeyCGQSSFUSNHYNDT-UHFFFAOYSA-N
XLogP2.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-thia-8-azaspiro[4.5]decane?
The IUPAC name of 6-phenyl-2-thia-8-azaspiro[4.5]decane (CID 79309118) is 6-phenyl-2-thia-8-azaspiro[4.5]decane.
What is the SMILES notation for 6-phenyl-2-thia-8-azaspiro[4.5]decane?
The canonical SMILES for 6-phenyl-2-thia-8-azaspiro[4.5]decane is c1ccc(C2CNCCC23CCSC3)cc1.
What is the InChIKey of 6-phenyl-2-thia-8-azaspiro[4.5]decane?
The InChIKey is CGQSSFUSNHYNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NS/c1-2-4-12(5-3-1)13-10-15-8-6-14(13)7-9-16-11-14/h1-5,13,15H,6-11H2.
What are the key properties of 6-phenyl-2-thia-8-azaspiro[4.5]decane?
6-phenyl-2-thia-8-azaspiro[4.5]decane has a molecular weight of 233.38 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-thia-8-azaspiro[4.5]decane is sourced from PubChem (CID 79309118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).