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

C12H26N4O4S-2 — CID 20975637

IUPAC2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]guanidine sulfate
SMILESCC1(C)CCCC(C)(C)N1CCN=C(N)N.O=S(=O)([O-])[O-]
InChIInChI=1S/C12H26N4.H2O4S/c1-11(2)6-5-7-12(3,4)16(11)9-8-15-10(13)14;1-5(2,3)4/h5-9H2,1-4H3,(H4,13,14,15);(H2,1,2,3,4)/p-2
InChIKeyWCVARWFFHJPDPT-UHFFFAOYSA-L
MW322.43 g/mol
LogP-0.04
Rot. Bonds3

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

2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]guanidine sulfate (PubChem CID 20975637) has the molecular formula C12H26N4O4S-2 and a molecular weight of 322.43 g/mol. Its IUPAC name is 2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]guanidine sulfate.

Molecular Properties

Compound Name2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]guanidine sulfate
PubChem CID20975637
Molecular FormulaC12H26N4O4S-2
Molecular Weight322.43 g/mol
Exact Mass322.17
IUPAC Name2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]guanidine sulfate
SMILESCC1(C)CCCC(C)(C)N1CCN=C(N)N.O=S(=O)([O-])[O-]
InChIInChI=1S/C12H26N4.H2O4S/c1-11(2)6-5-7-12(3,4)16(11)9-8-15-10(13)14;1-5(2,3)4/h5-9H2,1-4H3,(H4,13,14,15);(H2,1,2,3,4)/p-2
InChIKeyWCVARWFFHJPDPT-UHFFFAOYSA-L
XLogP-0.04
TPSA147.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]guanidine sulfate?
The IUPAC name of 2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]guanidine sulfate (CID 20975637) is 2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]guanidine sulfate.
What is the SMILES notation for 2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]guanidine sulfate?
The canonical SMILES for 2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]guanidine sulfate is CC1(C)CCCC(C)(C)N1CCN=C(N)N.O=S(=O)([O-])[O-].
What is the InChIKey of 2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]guanidine sulfate?
The InChIKey is WCVARWFFHJPDPT-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H26N4.H2O4S/c1-11(2)6-5-7-12(3,4)16(11)9-8-15-10(13)14;1-5(2,3)4/h5-9H2,1-4H3,(H4,13,14,15);(H2,1,2,3,4)/p-2.
What are the key properties of 2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]guanidine sulfate?
2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]guanidine sulfate has a molecular weight of 322.43 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]guanidine sulfate is sourced from PubChem (CID 20975637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).