bis(2-aminoimidazol-1-yl) sulfate

C6H8N6O4S — CID 174496342

IUPACbis(2-aminoimidazol-1-yl) sulfate
SMILESNc1nccn1OS(=O)(=O)On1ccnc1N
InChIInChI=1S/C6H8N6O4S/c7-5-9-1-3-11(5)15-17(13,14)16-12-4-2-10-6(12)8/h1-4H,(H2,7,9)(H2,8,10)
InChIKeySUTVNSLNEREUJI-UHFFFAOYSA-N
MW260.24 g/mol
LogP-1.95
Rot. Bonds4

About bis(2-aminoimidazol-1-yl) sulfate

bis(2-aminoimidazol-1-yl) sulfate (PubChem CID 174496342) has the molecular formula C6H8N6O4S and a molecular weight of 260.24 g/mol. Its IUPAC name is bis(2-aminoimidazol-1-yl) sulfate.

Molecular Properties

Compound Namebis(2-aminoimidazol-1-yl) sulfate
PubChem CID174496342
Molecular FormulaC6H8N6O4S
Molecular Weight260.24 g/mol
Exact Mass260.03
IUPAC Namebis(2-aminoimidazol-1-yl) sulfate
SMILESNc1nccn1OS(=O)(=O)On1ccnc1N
InChIInChI=1S/C6H8N6O4S/c7-5-9-1-3-11(5)15-17(13,14)16-12-4-2-10-6(12)8/h1-4H,(H2,7,9)(H2,8,10)
InChIKeySUTVNSLNEREUJI-UHFFFAOYSA-N
XLogP-1.95
TPSA140.28 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 5-1.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of bis(2-aminoimidazol-1-yl) sulfate?
The IUPAC name of bis(2-aminoimidazol-1-yl) sulfate (CID 174496342) is bis(2-aminoimidazol-1-yl) sulfate.
What is the SMILES notation for bis(2-aminoimidazol-1-yl) sulfate?
The canonical SMILES for bis(2-aminoimidazol-1-yl) sulfate is Nc1nccn1OS(=O)(=O)On1ccnc1N.
What is the InChIKey of bis(2-aminoimidazol-1-yl) sulfate?
The InChIKey is SUTVNSLNEREUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6O4S/c7-5-9-1-3-11(5)15-17(13,14)16-12-4-2-10-6(12)8/h1-4H,(H2,7,9)(H2,8,10).
What are the key properties of bis(2-aminoimidazol-1-yl) sulfate?
bis(2-aminoimidazol-1-yl) sulfate has a molecular weight of 260.24 g/mol, XLogP of -1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-aminoimidazol-1-yl) sulfate is sourced from PubChem (CID 174496342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).