5,9-ditert-butyl-1-thia-5,9-diazaspiro[5.5]undecane

C16H32N2S — CID 58245190

IUPAC5,9-ditert-butyl-1-thia-5,9-diazaspiro[5.5]undecane
SMILESCC(C)(C)N1CCC2(CC1)SCCCN2C(C)(C)C
InChIInChI=1S/C16H32N2S/c1-14(2,3)17-11-8-16(9-12-17)18(15(4,5)6)10-7-13-19-16/h7-13H2,1-6H3
InChIKeyLBNUQAIVNJXHPA-UHFFFAOYSA-N
MW284.51 g/mol
LogP3.81
Rot. Bonds

About 5,9-ditert-butyl-1-thia-5,9-diazaspiro[5.5]undecane

5,9-ditert-butyl-1-thia-5,9-diazaspiro[5.5]undecane (PubChem CID 58245190) has the molecular formula C16H32N2S and a molecular weight of 284.51 g/mol. Its IUPAC name is 5,9-ditert-butyl-1-thia-5,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name5,9-ditert-butyl-1-thia-5,9-diazaspiro[5.5]undecane
PubChem CID58245190
Molecular FormulaC16H32N2S
Molecular Weight284.51 g/mol
Exact Mass284.23
IUPAC Name5,9-ditert-butyl-1-thia-5,9-diazaspiro[5.5]undecane
SMILESCC(C)(C)N1CCC2(CC1)SCCCN2C(C)(C)C
InChIInChI=1S/C16H32N2S/c1-14(2,3)17-11-8-16(9-12-17)18(15(4,5)6)10-7-13-19-16/h7-13H2,1-6H3
InChIKeyLBNUQAIVNJXHPA-UHFFFAOYSA-N
XLogP3.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.51
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,9-ditert-butyl-1-thia-5,9-diazaspiro[5.5]undecane?
The IUPAC name of 5,9-ditert-butyl-1-thia-5,9-diazaspiro[5.5]undecane (CID 58245190) is 5,9-ditert-butyl-1-thia-5,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 5,9-ditert-butyl-1-thia-5,9-diazaspiro[5.5]undecane?
The canonical SMILES for 5,9-ditert-butyl-1-thia-5,9-diazaspiro[5.5]undecane is CC(C)(C)N1CCC2(CC1)SCCCN2C(C)(C)C.
What is the InChIKey of 5,9-ditert-butyl-1-thia-5,9-diazaspiro[5.5]undecane?
The InChIKey is LBNUQAIVNJXHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2S/c1-14(2,3)17-11-8-16(9-12-17)18(15(4,5)6)10-7-13-19-16/h7-13H2,1-6H3.
What are the key properties of 5,9-ditert-butyl-1-thia-5,9-diazaspiro[5.5]undecane?
5,9-ditert-butyl-1-thia-5,9-diazaspiro[5.5]undecane has a molecular weight of 284.51 g/mol, XLogP of 3.81, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-ditert-butyl-1-thia-5,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 58245190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).