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

C11H19N3O5S — CID 121378176

IUPAC[(5R)-7-oxo-5-piperidin-4-yl-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
SMILESO=C1N2CCC[C@@](C3CCNCC3)(C2)N1OS(=O)(=O)O
InChIInChI=1S/C11H19N3O5S/c15-10-13-7-1-4-11(8-13,9-2-5-12-6-3-9)14(10)19-20(16,17)18/h9,12H,1-8H2,(H,16,17,18)/t11-/m0/s1
InChIKeyPIHXRWGJMCNYLJ-NSHDSACASA-N
MW305.36 g/mol
LogP-0.01
Rot. Bonds3

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

[(5R)-7-oxo-5-piperidin-4-yl-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate (PubChem CID 121378176) has the molecular formula C11H19N3O5S and a molecular weight of 305.36 g/mol. Its IUPAC name is [(5R)-7-oxo-5-piperidin-4-yl-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate.

Molecular Properties

Compound Name[(5R)-7-oxo-5-piperidin-4-yl-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
PubChem CID121378176
Molecular FormulaC11H19N3O5S
Molecular Weight305.36 g/mol
Exact Mass305.10
IUPAC Name[(5R)-7-oxo-5-piperidin-4-yl-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
SMILESO=C1N2CCC[C@@](C3CCNCC3)(C2)N1OS(=O)(=O)O
InChIInChI=1S/C11H19N3O5S/c15-10-13-7-1-4-11(8-13,9-2-5-12-6-3-9)14(10)19-20(16,17)18/h9,12H,1-8H2,(H,16,17,18)/t11-/m0/s1
InChIKeyPIHXRWGJMCNYLJ-NSHDSACASA-N
XLogP-0.01
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

formamide;[(5R)-7-oxo-5-piperidin-4-yl-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
CID 121378175
[(2S,7R,9R)-11-oxo-1,4,10-triazatricyclo[7.2.1.02,7]dodecan-10-yl] sulfate
CID 141683639
[(5R)-7-oxo-2-propan-2-yl-6-aza-1-azoniabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
CID 155731194
(7-Oxo-2-propan-2-yl-6-aza-1-azoniabicyclo[3.2.1]octan-6-yl) hydrogen sulfate
CID 155731221
[(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 [(5R)-7-oxo-5-piperidin-4-yl-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate?
The IUPAC name of [(5R)-7-oxo-5-piperidin-4-yl-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate (CID 121378176) is [(5R)-7-oxo-5-piperidin-4-yl-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate.
What is the SMILES notation for [(5R)-7-oxo-5-piperidin-4-yl-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate?
The canonical SMILES for [(5R)-7-oxo-5-piperidin-4-yl-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate is O=C1N2CCC[C@@](C3CCNCC3)(C2)N1OS(=O)(=O)O.
What is the InChIKey of [(5R)-7-oxo-5-piperidin-4-yl-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate?
The InChIKey is PIHXRWGJMCNYLJ-NSHDSACASA-N. The full InChI is InChI=1S/C11H19N3O5S/c15-10-13-7-1-4-11(8-13,9-2-5-12-6-3-9)14(10)19-20(16,17)18/h9,12H,1-8H2,(H,16,17,18)/t11-/m0/s1.
What are the key properties of [(5R)-7-oxo-5-piperidin-4-yl-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate?
[(5R)-7-oxo-5-piperidin-4-yl-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate has a molecular weight of 305.36 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-7-oxo-5-piperidin-4-yl-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate is sourced from PubChem (CID 121378176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).