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

C11H20N2OS — CID 58245170

IUPAC4-tert-butyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCC(C)(C)N1C(=O)CSC12CCNCC2
InChIInChI=1S/C11H20N2OS/c1-10(2,3)13-9(14)8-15-11(13)4-6-12-7-5-11/h12H,4-8H2,1-3H3
InChIKeyYRTIGHVRLGNQBG-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.44
Rot. Bonds

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

4-tert-butyl-1-thia-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 58245170) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 4-tert-butyl-1-thia-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name4-tert-butyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
PubChem CID58245170
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name4-tert-butyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCC(C)(C)N1C(=O)CSC12CCNCC2
InChIInChI=1S/C11H20N2OS/c1-10(2,3)13-9(14)8-15-11(13)4-6-12-7-5-11/h12H,4-8H2,1-3H3
InChIKeyYRTIGHVRLGNQBG-UHFFFAOYSA-N
XLogP1.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 4-tert-butyl-1-thia-4,8-diazaspiro[4.5]decan-3-one (CID 58245170) is 4-tert-butyl-1-thia-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 4-tert-butyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 4-tert-butyl-1-thia-4,8-diazaspiro[4.5]decan-3-one is CC(C)(C)N1C(=O)CSC12CCNCC2.
What is the InChIKey of 4-tert-butyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is YRTIGHVRLGNQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-10(2,3)13-9(14)8-15-11(13)4-6-12-7-5-11/h12H,4-8H2,1-3H3.
What are the key properties of 4-tert-butyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
4-tert-butyl-1-thia-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 228.36 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-thia-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 58245170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).