formamide;[(5R)-7-oxo-5-piperidin-4-yl-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate

C12H22N4O6S — CID 121378175

IUPACformamide;[(5R)-7-oxo-5-piperidin-4-yl-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
SMILESNC=O.O=C1N2CCC[C@@](C3CCNCC3)(C2)N1OS(=O)(=O)O
InChIInChI=1S/C11H19N3O5S.CH3NO/c15-10-13-7-1-4-11(8-13,9-2-5-12-6-3-9)14(10)19-20(16,17)18;2-1-3/h9,12H,1-8H2,(H,16,17,18);1H,(H2,2,3)/t11-;/m0./s1
InChIKeyHTYAGUAXJDXVCL-MERQFXBCSA-N
MW350.40 g/mol
LogP-0.91
Rot. Bonds3

About formamide;[(5R)-7-oxo-5-piperidin-4-yl-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate

formamide;[(5R)-7-oxo-5-piperidin-4-yl-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate (PubChem CID 121378175) has the molecular formula C12H22N4O6S and a molecular weight of 350.40 g/mol. Its IUPAC name is formamide;[(5R)-7-oxo-5-piperidin-4-yl-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate.

Molecular Properties

Compound Nameformamide;[(5R)-7-oxo-5-piperidin-4-yl-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
PubChem CID121378175
Molecular FormulaC12H22N4O6S
Molecular Weight350.40 g/mol
Exact Mass350.13
IUPAC Nameformamide;[(5R)-7-oxo-5-piperidin-4-yl-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
SMILESNC=O.O=C1N2CCC[C@@](C3CCNCC3)(C2)N1OS(=O)(=O)O
InChIInChI=1S/C11H19N3O5S.CH3NO/c15-10-13-7-1-4-11(8-13,9-2-5-12-6-3-9)14(10)19-20(16,17)18;2-1-3/h9,12H,1-8H2,(H,16,17,18);1H,(H2,2,3)/t11-;/m0./s1
InChIKeyHTYAGUAXJDXVCL-MERQFXBCSA-N
XLogP-0.91
TPSA142.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze formamide;[(5R)-7-oxo-5-piperidin-4-yl-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate with MolForge

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Related Compounds

(7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl) hydrogen sulfate;N-piperidin-4-ylformamide
CID 144802707
[(5R)-7-oxo-5-piperidin-4-yl-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
CID 121378176
[(2S,7R,9R)-11-oxo-1,4,10-triazatricyclo[7.2.1.02,7]dodecan-10-yl] hydrogen sulfate
CID 141683640

Frequently Asked Questions

What is the IUPAC name of formamide;[(5R)-7-oxo-5-piperidin-4-yl-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate?
The IUPAC name of formamide;[(5R)-7-oxo-5-piperidin-4-yl-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate (CID 121378175) is formamide;[(5R)-7-oxo-5-piperidin-4-yl-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate.
What is the SMILES notation for formamide;[(5R)-7-oxo-5-piperidin-4-yl-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate?
The canonical SMILES for formamide;[(5R)-7-oxo-5-piperidin-4-yl-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate is NC=O.O=C1N2CCC[C@@](C3CCNCC3)(C2)N1OS(=O)(=O)O.
What is the InChIKey of formamide;[(5R)-7-oxo-5-piperidin-4-yl-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate?
The InChIKey is HTYAGUAXJDXVCL-MERQFXBCSA-N. The full InChI is InChI=1S/C11H19N3O5S.CH3NO/c15-10-13-7-1-4-11(8-13,9-2-5-12-6-3-9)14(10)19-20(16,17)18;2-1-3/h9,12H,1-8H2,(H,16,17,18);1H,(H2,2,3)/t11-;/m0./s1.
What are the key properties of formamide;[(5R)-7-oxo-5-piperidin-4-yl-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate?
formamide;[(5R)-7-oxo-5-piperidin-4-yl-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate has a molecular weight of 350.40 g/mol, XLogP of -0.91, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formamide;[(5R)-7-oxo-5-piperidin-4-yl-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate is sourced from PubChem (CID 121378175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).