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

C11H22N2S — CID 58245165

IUPAC4-tert-butyl-1-thia-4,9-diazaspiro[4.5]decane
SMILESCC(C)(C)N1CCSC12CCCNC2
InChIInChI=1S/C11H22N2S/c1-10(2,3)13-7-8-14-11(13)5-4-6-12-9-11/h12H,4-9H2,1-3H3
InChIKeyPVTKLRQYWLPGTG-UHFFFAOYSA-N
MW214.38 g/mol
LogP1.91
Rot. Bonds

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

4-tert-butyl-1-thia-4,9-diazaspiro[4.5]decane (PubChem CID 58245165) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is 4-tert-butyl-1-thia-4,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name4-tert-butyl-1-thia-4,9-diazaspiro[4.5]decane
PubChem CID58245165
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name4-tert-butyl-1-thia-4,9-diazaspiro[4.5]decane
SMILESCC(C)(C)N1CCSC12CCCNC2
InChIInChI=1S/C11H22N2S/c1-10(2,3)13-7-8-14-11(13)5-4-6-12-9-11/h12H,4-9H2,1-3H3
InChIKeyPVTKLRQYWLPGTG-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-thia-4,9-diazaspiro[4.5]decane?
The IUPAC name of 4-tert-butyl-1-thia-4,9-diazaspiro[4.5]decane (CID 58245165) is 4-tert-butyl-1-thia-4,9-diazaspiro[4.5]decane.
What is the SMILES notation for 4-tert-butyl-1-thia-4,9-diazaspiro[4.5]decane?
The canonical SMILES for 4-tert-butyl-1-thia-4,9-diazaspiro[4.5]decane is CC(C)(C)N1CCSC12CCCNC2.
What is the InChIKey of 4-tert-butyl-1-thia-4,9-diazaspiro[4.5]decane?
The InChIKey is PVTKLRQYWLPGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-10(2,3)13-7-8-14-11(13)5-4-6-12-9-11/h12H,4-9H2,1-3H3.
What are the key properties of 4-tert-butyl-1-thia-4,9-diazaspiro[4.5]decane?
4-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 4-tert-butyl-1-thia-4,9-diazaspiro[4.5]decane is sourced from PubChem (CID 58245165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).