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

C11H22N2S — CID 58245057

IUPAC9-tert-butyl-1-thia-4,9-diazaspiro[4.5]decane
SMILESCC(C)(C)N1CCCC2(C1)NCCS2
InChIInChI=1S/C11H22N2S/c1-10(2,3)13-7-4-5-11(9-13)12-6-8-14-11/h12H,4-9H2,1-3H3
InChIKeyBBUNPELNHSHKIQ-UHFFFAOYSA-N
MW214.38 g/mol
LogP1.91
Rot. Bonds

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

9-tert-butyl-1-thia-4,9-diazaspiro[4.5]decane (PubChem CID 58245057) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is 9-tert-butyl-1-thia-4,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-tert-butyl-1-thia-4,9-diazaspiro[4.5]decane
PubChem CID58245057
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name9-tert-butyl-1-thia-4,9-diazaspiro[4.5]decane
SMILESCC(C)(C)N1CCCC2(C1)NCCS2
InChIInChI=1S/C11H22N2S/c1-10(2,3)13-7-4-5-11(9-13)12-6-8-14-11/h12H,4-9H2,1-3H3
InChIKeyBBUNPELNHSHKIQ-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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Frequently Asked Questions

What is the IUPAC name of 9-tert-butyl-1-thia-4,9-diazaspiro[4.5]decane?
The IUPAC name of 9-tert-butyl-1-thia-4,9-diazaspiro[4.5]decane (CID 58245057) is 9-tert-butyl-1-thia-4,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-tert-butyl-1-thia-4,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-tert-butyl-1-thia-4,9-diazaspiro[4.5]decane is CC(C)(C)N1CCCC2(C1)NCCS2.
What is the InChIKey of 9-tert-butyl-1-thia-4,9-diazaspiro[4.5]decane?
The InChIKey is BBUNPELNHSHKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-10(2,3)13-7-4-5-11(9-13)12-6-8-14-11/h12H,4-9H2,1-3H3.
What are the key properties of 9-tert-butyl-1-thia-4,9-diazaspiro[4.5]decane?
9-tert-butyl-1-thia-4,9-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 9-tert-butyl-1-thia-4,9-diazaspiro[4.5]decane is sourced from PubChem (CID 58245057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).