hydrogen sulfate;hydron;piperidine

C5H13NO4S — CID 173132267

IUPAChydrogen sulfate;hydron;piperidine
SMILESC1CCNCC1.O=S(=O)([O-])O.[H+]
InChIInChI=1S/C5H11N.H2O4S/c1-2-4-6-5-3-1;1-5(2,3)4/h6H,1-5H2;(H2,1,2,3,4)
InChIKeyCDIDCIDDYQNFDJ-UHFFFAOYSA-N
MW183.23 g/mol
LogP-0.12
Rot. Bonds

About hydrogen sulfate;hydron;piperidine

hydrogen sulfate;hydron;piperidine (PubChem CID 173132267) has the molecular formula C5H13NO4S and a molecular weight of 183.23 g/mol. Its IUPAC name is hydrogen sulfate;hydron;piperidine.

Molecular Properties

Compound Namehydrogen sulfate;hydron;piperidine
PubChem CID173132267
Molecular FormulaC5H13NO4S
Molecular Weight183.23 g/mol
Exact Mass183.06
IUPAC Namehydrogen sulfate;hydron;piperidine
SMILESC1CCNCC1.O=S(=O)([O-])O.[H+]
InChIInChI=1S/C5H11N.H2O4S/c1-2-4-6-5-3-1;1-5(2,3)4/h6H,1-5H2;(H2,1,2,3,4)
InChIKeyCDIDCIDDYQNFDJ-UHFFFAOYSA-N
XLogP-0.12
TPSA89.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 hydrogen sulfate;hydron;piperidine?
The IUPAC name of hydrogen sulfate;hydron;piperidine (CID 173132267) is hydrogen sulfate;hydron;piperidine.
What is the SMILES notation for hydrogen sulfate;hydron;piperidine?
The canonical SMILES for hydrogen sulfate;hydron;piperidine is C1CCNCC1.O=S(=O)([O-])O.[H+].
What is the InChIKey of hydrogen sulfate;hydron;piperidine?
The InChIKey is CDIDCIDDYQNFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.H2O4S/c1-2-4-6-5-3-1;1-5(2,3)4/h6H,1-5H2;(H2,1,2,3,4).
What are the key properties of hydrogen sulfate;hydron;piperidine?
hydrogen sulfate;hydron;piperidine has a molecular weight of 183.23 g/mol, XLogP of -0.12, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen sulfate;hydron;piperidine is sourced from PubChem (CID 173132267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).