5-tert-butyl-1-thia-5,8-diazaspiro[5.5]undecane;8-tert-butyl-1-thia-5,8-diazaspiro[5.5]undecane;methane

C25H52N4S2 — CID 157389338

IUPAC5-tert-butyl-1-thia-5,8-diazaspiro[5.5]undecane;8-tert-butyl-1-thia-5,8-diazaspiro[5.5]undecane;methane
SMILESC.CC(C)(C)N1CCCC2(C1)NCCCS2.CC(C)(C)N1CCCSC12CCCNC2
InChIInChI=1S/2C12H24N2S.CH4/c1-11(2,3)14-8-4-6-12(10-14)13-7-5-9-15-12;1-11(2,3)14-8-5-9-15-12(14)6-4-7-13-10-12;/h2*13H,4-10H2,1-3H3;1H4
InChIKeyBLUUBDFDPIMFHH-UHFFFAOYSA-N
MW472.85 g/mol
LogP5.24
Rot. Bonds

About 5-tert-butyl-1-thia-5,8-diazaspiro[5.5]undecane;8-tert-butyl-1-thia-5,8-diazaspiro[5.5]undecane;methane

5-tert-butyl-1-thia-5,8-diazaspiro[5.5]undecane;8-tert-butyl-1-thia-5,8-diazaspiro[5.5]undecane;methane (PubChem CID 157389338) has the molecular formula C25H52N4S2 and a molecular weight of 472.85 g/mol. Its IUPAC name is 5-tert-butyl-1-thia-5,8-diazaspiro[5.5]undecane;8-tert-butyl-1-thia-5,8-diazaspiro[5.5]undecane;methane.

Molecular Properties

Compound Name5-tert-butyl-1-thia-5,8-diazaspiro[5.5]undecane;8-tert-butyl-1-thia-5,8-diazaspiro[5.5]undecane;methane
PubChem CID157389338
Molecular FormulaC25H52N4S2
Molecular Weight472.85 g/mol
Exact Mass472.36
IUPAC Name5-tert-butyl-1-thia-5,8-diazaspiro[5.5]undecane;8-tert-butyl-1-thia-5,8-diazaspiro[5.5]undecane;methane
SMILESC.CC(C)(C)N1CCCC2(C1)NCCCS2.CC(C)(C)N1CCCSC12CCCNC2
InChIInChI=1S/2C12H24N2S.CH4/c1-11(2,3)14-8-4-6-12(10-14)13-7-5-9-15-12;1-11(2,3)14-8-5-9-15-12(14)6-4-7-13-10-12;/h2*13H,4-10H2,1-3H3;1H4
InChIKeyBLUUBDFDPIMFHH-UHFFFAOYSA-N
XLogP5.24
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.85
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-tert-butyl-1-thia-5,8-diazaspiro[5.5]undecane;8-tert-butyl-1-thia-5,8-diazaspiro[5.5]undecane;methane 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

10-tert-butyl-6,10-diazaspiro[4.6]undecane
CID 64941317
2-tert-butyl-2-azaspiro[4.5]decane;8-tert-butyl-8-azaspiro[4.5]decane;2-tert-butyl-2-azaspiro[3.5]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;2-tert-butyl-2-azaspiro[5.5]undecane;1-tert-butyl-1,8-diazaspiro[4.5]decane;2-tert-butyl-2,8-diazaspiro[3.5]nonane;3-tert-butyl-3,9-diazaspiro[5.5]undecane;methane
CID 161238642
1-tert-butyl-1-azaspiro[4.5]decane;2-tert-butyl-2-azaspiro[4.5]decane;2-tert-butyl-2-azaspiro[3.5]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;2-tert-butyl-2-azaspiro[5.5]undecane;3-tert-butyl-3-azaspiro[5.5]undecane;8-tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-2,8-diazaspiro[3.5]nonane
CID 159238041
9-iodo-1-thia-5,9-diazaspiro[5.5]undecane
CID 134389589
tert-butyl 1-thia-5,9-diazaspiro[5.5]undecane-9-carboxylate
CID 130490562
1-tert-butyl-3,3-dimethylpiperidine
CID 14356856
1-thia-4-azaspiro[4.5]decane
CID 14155910
1-thia-4-azaspiro[4.7]dodecane
CID 66525255
8-tert-butyl-5,8-diazaspiro[3.5]nonane
CID 137435570
1-tert-butyl-1,4-diazepane;1-tert-butylpiperazine
CID 158347014
azetidine;1-tert-butylpyrrolidine;2-methylpropane
CID 177188301
3,3-dimethyl-1-(2-methylbut-3-yn-2-yl)-1,4-diazepane
CID 64950814

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-thia-5,8-diazaspiro[5.5]undecane;8-tert-butyl-1-thia-5,8-diazaspiro[5.5]undecane;methane?
The IUPAC name of 5-tert-butyl-1-thia-5,8-diazaspiro[5.5]undecane;8-tert-butyl-1-thia-5,8-diazaspiro[5.5]undecane;methane (CID 157389338) is 5-tert-butyl-1-thia-5,8-diazaspiro[5.5]undecane;8-tert-butyl-1-thia-5,8-diazaspiro[5.5]undecane;methane.
What is the SMILES notation for 5-tert-butyl-1-thia-5,8-diazaspiro[5.5]undecane;8-tert-butyl-1-thia-5,8-diazaspiro[5.5]undecane;methane?
The canonical SMILES for 5-tert-butyl-1-thia-5,8-diazaspiro[5.5]undecane;8-tert-butyl-1-thia-5,8-diazaspiro[5.5]undecane;methane is C.CC(C)(C)N1CCCC2(C1)NCCCS2.CC(C)(C)N1CCCSC12CCCNC2.
What is the InChIKey of 5-tert-butyl-1-thia-5,8-diazaspiro[5.5]undecane;8-tert-butyl-1-thia-5,8-diazaspiro[5.5]undecane;methane?
The InChIKey is BLUUBDFDPIMFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H24N2S.CH4/c1-11(2,3)14-8-4-6-12(10-14)13-7-5-9-15-12;1-11(2,3)14-8-5-9-15-12(14)6-4-7-13-10-12;/h2*13H,4-10H2,1-3H3;1H4.
What are the key properties of 5-tert-butyl-1-thia-5,8-diazaspiro[5.5]undecane;8-tert-butyl-1-thia-5,8-diazaspiro[5.5]undecane;methane?
5-tert-butyl-1-thia-5,8-diazaspiro[5.5]undecane;8-tert-butyl-1-thia-5,8-diazaspiro[5.5]undecane;methane has a molecular weight of 472.85 g/mol, XLogP of 5.24, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-thia-5,8-diazaspiro[5.5]undecane;8-tert-butyl-1-thia-5,8-diazaspiro[5.5]undecane;methane is sourced from PubChem (CID 157389338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).