4,8-ditert-butyl-1-thia-4,8-diazaspiro[4.5]decan-3-one

C15H28N2OS — CID 58245198

IUPAC4,8-ditert-butyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCC(C)(C)N1CCC2(CC1)SCC(=O)N2C(C)(C)C
InChIInChI=1S/C15H28N2OS/c1-13(2,3)16-9-7-15(8-10-16)17(14(4,5)6)12(18)11-19-15/h7-11H2,1-6H3
InChIKeyORQBNBNBNUEURJ-UHFFFAOYSA-N
MW284.47 g/mol
LogP2.95
Rot. Bonds

About 4,8-ditert-butyl-1-thia-4,8-diazaspiro[4.5]decan-3-one

4,8-ditert-butyl-1-thia-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 58245198) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is 4,8-ditert-butyl-1-thia-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name4,8-ditert-butyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
PubChem CID58245198
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC Name4,8-ditert-butyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCC(C)(C)N1CCC2(CC1)SCC(=O)N2C(C)(C)C
InChIInChI=1S/C15H28N2OS/c1-13(2,3)16-9-7-15(8-10-16)17(14(4,5)6)12(18)11-19-15/h7-11H2,1-6H3
InChIKeyORQBNBNBNUEURJ-UHFFFAOYSA-N
XLogP2.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ngx-267
CID 10013505
2,8-Dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 22139651
2-Ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 11528611
2-Butyl-3-(2-(piperidin-1-yl)ethyl)thiazolidin-4-one
CID 132277366
4-[2-(Dimethylamino)ethyl]-8-hexyl-1-thia-4,8-diazaspiro[4,5]decan-3-one
CID 162640089
4-[3-(Dimethylamino)propyl]-8-hexyl-1-thia-4,8-diazaspiro[4,5]decan-3-one
CID 162640104
(R)-2-Ethyl-8-methyl-1-thia-4,8-diaza-spiro[4.5]decan-3-one
CID 11694209
2,4,8-Trimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 22097452
2-Ethyl-4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 22097515
8-Methyl-1-thia-4,8-diaza-spiro[4.5]decan-3-one
CID 22139638
Tert-butyl 8-methyl-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-4-carboxylate
CID 22139644
Methyl-(8-methyl-3-oxo-1-thia-4,8-diazaspiro[4.5]decan-4-yl)borinic acid
CID 23574959

Frequently Asked Questions

What is the IUPAC name of 4,8-ditert-butyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 4,8-ditert-butyl-1-thia-4,8-diazaspiro[4.5]decan-3-one (CID 58245198) is 4,8-ditert-butyl-1-thia-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 4,8-ditert-butyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 4,8-ditert-butyl-1-thia-4,8-diazaspiro[4.5]decan-3-one is CC(C)(C)N1CCC2(CC1)SCC(=O)N2C(C)(C)C.
What is the InChIKey of 4,8-ditert-butyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is ORQBNBNBNUEURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2OS/c1-13(2,3)16-9-7-15(8-10-16)17(14(4,5)6)12(18)11-19-15/h7-11H2,1-6H3.
What are the key properties of 4,8-ditert-butyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
4,8-ditert-butyl-1-thia-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 284.47 g/mol, XLogP of 2.95, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-ditert-butyl-1-thia-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 58245198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).