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

C12H24N2S — CID 58245075

IUPAC9-tert-butyl-1-thia-5,9-diazaspiro[5.5]undecane
SMILESCC(C)(C)N1CCC2(CC1)NCCCS2
InChIInChI=1S/C12H24N2S/c1-11(2,3)14-8-5-12(6-9-14)13-7-4-10-15-12/h13H,4-10H2,1-3H3
InChIKeyMIQDPOAMFDVQSH-UHFFFAOYSA-N
MW228.40 g/mol
LogP2.30
Rot. Bonds

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

9-tert-butyl-1-thia-5,9-diazaspiro[5.5]undecane (PubChem CID 58245075) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is 9-tert-butyl-1-thia-5,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-tert-butyl-1-thia-5,9-diazaspiro[5.5]undecane
PubChem CID58245075
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC Name9-tert-butyl-1-thia-5,9-diazaspiro[5.5]undecane
SMILESCC(C)(C)N1CCC2(CC1)NCCCS2
InChIInChI=1S/C12H24N2S/c1-11(2,3)14-8-5-12(6-9-14)13-7-4-10-15-12/h13H,4-10H2,1-3H3
InChIKeyMIQDPOAMFDVQSH-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

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

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

Launch Full Analysis

Related Compounds

1-(tetrahydro-2H-thiopyran-4-yl)piperidin-4-amine
CID 45791253
4-(3-Fluoropiperidin-4-yl)-3-methylthiomorpholine
CID 164646625
1-methyl-N-(thian-4-yl)piperidin-4-amine
CID 43394899
4-Piperidin-4-ylsulfanylpiperidine
CID 21516949
4-Methyl-1-thia-4,9-diazaspiro[5.5]undecane
CID 21704132
4-(Piperidin-4-yl)thiomorpholine
CID 28063369
1-Thia-4,8-diazaspiro[5.5]undecane
CID 57764663
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
8-Tert-butyl-1-thia-5,8-diazaspiro[5.5]undecane
CID 58245134
5-Tert-butyl-1-thia-5,8-diazaspiro[5.5]undecane
CID 58245167
5,9-Ditert-butyl-1-thia-5,9-diazaspiro[5.5]undecane
CID 58245190

Frequently Asked Questions

What is the IUPAC name of 9-tert-butyl-1-thia-5,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-tert-butyl-1-thia-5,9-diazaspiro[5.5]undecane (CID 58245075) is 9-tert-butyl-1-thia-5,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-tert-butyl-1-thia-5,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-tert-butyl-1-thia-5,9-diazaspiro[5.5]undecane is CC(C)(C)N1CCC2(CC1)NCCCS2.
What is the InChIKey of 9-tert-butyl-1-thia-5,9-diazaspiro[5.5]undecane?
The InChIKey is MIQDPOAMFDVQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-11(2,3)14-8-5-12(6-9-14)13-7-4-10-15-12/h13H,4-10H2,1-3H3.
What are the key properties of 9-tert-butyl-1-thia-5,9-diazaspiro[5.5]undecane?
9-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 9-tert-butyl-1-thia-5,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 58245075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).