8-tert-butyl-1-thia-4,8-diazaspiro[4.5]decane

C11H22N2S — CID 58959518

IUPAC8-tert-butyl-1-thia-4,8-diazaspiro[4.5]decane
SMILESCC(C)(C)N1CCC2(CC1)NCCS2
InChIInChI=1S/C11H22N2S/c1-10(2,3)13-7-4-11(5-8-13)12-6-9-14-11/h12H,4-9H2,1-3H3
InChIKeyMDEGRMREKWDCOV-UHFFFAOYSA-N
MW214.38 g/mol
LogP1.91
Rot. Bonds

About 8-tert-butyl-1-thia-4,8-diazaspiro[4.5]decane

8-tert-butyl-1-thia-4,8-diazaspiro[4.5]decane (PubChem CID 58959518) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is 8-tert-butyl-1-thia-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-tert-butyl-1-thia-4,8-diazaspiro[4.5]decane
PubChem CID58959518
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name8-tert-butyl-1-thia-4,8-diazaspiro[4.5]decane
SMILESCC(C)(C)N1CCC2(CC1)NCCS2
InChIInChI=1S/C11H22N2S/c1-10(2,3)13-7-4-11(5-8-13)12-6-9-14-11/h12H,4-9H2,1-3H3
InChIKeyMDEGRMREKWDCOV-UHFFFAOYSA-N
XLogP1.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Ethyl-8-methyl-1-thia-4,8-diaza-spiro[4.5]decane-3-thione
CID 10466418
1-Thia-4,8-diazaspiro[4.5]decane
CID 22467178
8-Methyl-1-thia-4,8-diazaspiro[4.5]decane
CID 50853150
2-(4-Piperazin-1-ylbutyl)-1,3-thiazolidine
CID 57311362
9-Tert-butyl-1-thia-4,9-diazaspiro[4.5]decane
CID 58245057
9-Tert-butyl-1-thia-5,9-diazaspiro[5.5]undecane
CID 58245075
4-Tert-butyl-1-thia-4,8-diazaspiro[4.5]decane
CID 58245087
5-Tert-butyl-1-thia-5,9-diazaspiro[5.5]undecane
CID 58245090
4-Tert-butyl-1-thia-4,9-diazaspiro[4.5]decane
CID 58245165
4-Tert-butyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 58245170
4,8-Ditert-butyl-1-thia-4,8-diazaspiro[4.5]decane
CID 58245234
4-Ethyl-1-thia-4,9-diazaspiro[4.5]decane
CID 58245514

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-1-thia-4,8-diazaspiro[4.5]decane?
The IUPAC name of 8-tert-butyl-1-thia-4,8-diazaspiro[4.5]decane (CID 58959518) is 8-tert-butyl-1-thia-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-tert-butyl-1-thia-4,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-tert-butyl-1-thia-4,8-diazaspiro[4.5]decane is CC(C)(C)N1CCC2(CC1)NCCS2.
What is the InChIKey of 8-tert-butyl-1-thia-4,8-diazaspiro[4.5]decane?
The InChIKey is MDEGRMREKWDCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-10(2,3)13-7-4-11(5-8-13)12-6-9-14-11/h12H,4-9H2,1-3H3.
What are the key properties of 8-tert-butyl-1-thia-4,8-diazaspiro[4.5]decane?
8-tert-butyl-1-thia-4,8-diazaspiro[4.5]decane has a molecular weight of 214.38 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-1-thia-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 58959518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).