bis(2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]guanidine);sulfate

C24H52N8O4S-2 — CID 23617301

IUPACbis(2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]guanidine);sulfate
SMILESCC1(C)CCCC(C)(C)N1CCN=C(N)N.CC1(C)CCCC(C)(C)N1CCN=C(N)N.O=S(=O)([O-])[O-]
InChIInChI=1S/2C12H26N4.H2O4S/c2*1-11(2)6-5-7-12(3,4)16(11)9-8-15-10(13)14;1-5(2,3)4/h2*5-9H2,1-4H3,(H4,13,14,15);(H2,1,2,3,4)/p-2
InChIKeyXHFYXXUDGAGKQN-UHFFFAOYSA-L
MW548.80 g/mol
LogP1.27
Rot. Bonds6

About bis(2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]guanidine);sulfate

bis(2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]guanidine);sulfate (PubChem CID 23617301) has the molecular formula C24H52N8O4S-2 and a molecular weight of 548.80 g/mol. Its IUPAC name is bis(2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]guanidine);sulfate.

Molecular Properties

Compound Namebis(2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]guanidine);sulfate
PubChem CID23617301
Molecular FormulaC24H52N8O4S-2
Molecular Weight548.80 g/mol
Exact Mass548.38
IUPAC Namebis(2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]guanidine);sulfate
SMILESCC1(C)CCCC(C)(C)N1CCN=C(N)N.CC1(C)CCCC(C)(C)N1CCN=C(N)N.O=S(=O)([O-])[O-]
InChIInChI=1S/2C12H26N4.H2O4S/c2*1-11(2)6-5-7-12(3,4)16(11)9-8-15-10(13)14;1-5(2,3)4/h2*5-9H2,1-4H3,(H4,13,14,15);(H2,1,2,3,4)/p-2
InChIKeyXHFYXXUDGAGKQN-UHFFFAOYSA-L
XLogP1.27
TPSA215.54 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.80
LogP ≤ 51.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

Analyze bis(2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]guanidine);sulfate 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 bis(2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]guanidine);sulfate?
The IUPAC name of bis(2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]guanidine);sulfate (CID 23617301) is bis(2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]guanidine);sulfate.
What is the SMILES notation for bis(2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]guanidine);sulfate?
The canonical SMILES for bis(2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]guanidine);sulfate is CC1(C)CCCC(C)(C)N1CCN=C(N)N.CC1(C)CCCC(C)(C)N1CCN=C(N)N.O=S(=O)([O-])[O-].
What is the InChIKey of bis(2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]guanidine);sulfate?
The InChIKey is XHFYXXUDGAGKQN-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H26N4.H2O4S/c2*1-11(2)6-5-7-12(3,4)16(11)9-8-15-10(13)14;1-5(2,3)4/h2*5-9H2,1-4H3,(H4,13,14,15);(H2,1,2,3,4)/p-2.
What are the key properties of bis(2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]guanidine);sulfate?
bis(2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]guanidine);sulfate has a molecular weight of 548.80 g/mol, XLogP of 1.27, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]guanidine);sulfate is sourced from PubChem (CID 23617301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).