5-tert-butyl-1-thia-5,9-diazaspiro[5.5]undecane

C12H24N2S — CID 58245090

IUPAC5-tert-butyl-1-thia-5,9-diazaspiro[5.5]undecane
SMILESCC(C)(C)N1CCCSC12CCNCC2
InChIInChI=1S/C12H24N2S/c1-11(2,3)14-9-4-10-15-12(14)5-7-13-8-6-12/h13H,4-10H2,1-3H3
InChIKeyIDXYERCUMBDNRL-UHFFFAOYSA-N
MW228.40 g/mol
LogP2.30
Rot. Bonds

About 5-tert-butyl-1-thia-5,9-diazaspiro[5.5]undecane

5-tert-butyl-1-thia-5,9-diazaspiro[5.5]undecane (PubChem CID 58245090) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is 5-tert-butyl-1-thia-5,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name5-tert-butyl-1-thia-5,9-diazaspiro[5.5]undecane
PubChem CID58245090
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC Name5-tert-butyl-1-thia-5,9-diazaspiro[5.5]undecane
SMILESCC(C)(C)N1CCCSC12CCNCC2
InChIInChI=1S/C12H24N2S/c1-11(2,3)14-9-4-10-15-12(14)5-7-13-8-6-12/h13H,4-10H2,1-3H3
InChIKeyIDXYERCUMBDNRL-UHFFFAOYSA-N
XLogP2.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-thia-5,9-diazaspiro[5.5]undecane?
The IUPAC name of 5-tert-butyl-1-thia-5,9-diazaspiro[5.5]undecane (CID 58245090) is 5-tert-butyl-1-thia-5,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 5-tert-butyl-1-thia-5,9-diazaspiro[5.5]undecane?
The canonical SMILES for 5-tert-butyl-1-thia-5,9-diazaspiro[5.5]undecane is CC(C)(C)N1CCCSC12CCNCC2.
What is the InChIKey of 5-tert-butyl-1-thia-5,9-diazaspiro[5.5]undecane?
The InChIKey is IDXYERCUMBDNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-11(2,3)14-9-4-10-15-12(14)5-7-13-8-6-12/h13H,4-10H2,1-3H3.
What are the key properties of 5-tert-butyl-1-thia-5,9-diazaspiro[5.5]undecane?
5-tert-butyl-1-thia-5,9-diazaspiro[5.5]undecane has a molecular weight of 228.40 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-thia-5,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 58245090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).