4,9-ditert-butyl-1-thia-4,9-diazaspiro[4.5]decane

C15H30N2S — CID 58245093

IUPAC4,9-ditert-butyl-1-thia-4,9-diazaspiro[4.5]decane
SMILESCC(C)(C)N1CCCC2(C1)SCCN2C(C)(C)C
InChIInChI=1S/C15H30N2S/c1-13(2,3)16-9-7-8-15(12-16)17(10-11-18-15)14(4,5)6/h7-12H2,1-6H3
InChIKeySNMCYMZDVDTHLG-UHFFFAOYSA-N
MW270.49 g/mol
LogP3.42
Rot. Bonds

About 4,9-ditert-butyl-1-thia-4,9-diazaspiro[4.5]decane

4,9-ditert-butyl-1-thia-4,9-diazaspiro[4.5]decane (PubChem CID 58245093) has the molecular formula C15H30N2S and a molecular weight of 270.49 g/mol. Its IUPAC name is 4,9-ditert-butyl-1-thia-4,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name4,9-ditert-butyl-1-thia-4,9-diazaspiro[4.5]decane
PubChem CID58245093
Molecular FormulaC15H30N2S
Molecular Weight270.49 g/mol
Exact Mass270.21
IUPAC Name4,9-ditert-butyl-1-thia-4,9-diazaspiro[4.5]decane
SMILESCC(C)(C)N1CCCC2(C1)SCCN2C(C)(C)C
InChIInChI=1S/C15H30N2S/c1-13(2,3)16-9-7-8-15(12-16)17(10-11-18-15)14(4,5)6/h7-12H2,1-6H3
InChIKeySNMCYMZDVDTHLG-UHFFFAOYSA-N
XLogP3.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,9-ditert-butyl-1-thia-4,9-diazaspiro[4.5]decane?
The IUPAC name of 4,9-ditert-butyl-1-thia-4,9-diazaspiro[4.5]decane (CID 58245093) is 4,9-ditert-butyl-1-thia-4,9-diazaspiro[4.5]decane.
What is the SMILES notation for 4,9-ditert-butyl-1-thia-4,9-diazaspiro[4.5]decane?
The canonical SMILES for 4,9-ditert-butyl-1-thia-4,9-diazaspiro[4.5]decane is CC(C)(C)N1CCCC2(C1)SCCN2C(C)(C)C.
What is the InChIKey of 4,9-ditert-butyl-1-thia-4,9-diazaspiro[4.5]decane?
The InChIKey is SNMCYMZDVDTHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2S/c1-13(2,3)16-9-7-8-15(12-16)17(10-11-18-15)14(4,5)6/h7-12H2,1-6H3.
What are the key properties of 4,9-ditert-butyl-1-thia-4,9-diazaspiro[4.5]decane?
4,9-ditert-butyl-1-thia-4,9-diazaspiro[4.5]decane has a molecular weight of 270.49 g/mol, XLogP of 3.42, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-ditert-butyl-1-thia-4,9-diazaspiro[4.5]decane is sourced from PubChem (CID 58245093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).