hydrogen sulfate;1-methylpiperidin-1-ium

C6H15NO4S — CID 134716141

IUPAChydrogen sulfate;1-methylpiperidin-1-ium
SMILESC[NH+]1CCCCC1.O=S(=O)([O-])O
InChIInChI=1S/C6H13N.H2O4S/c1-7-5-3-2-4-6-7;1-5(2,3)4/h2-6H2,1H3;(H2,1,2,3,4)
InChIKeyUOTIBISWGOJBDS-UHFFFAOYSA-N
MW197.26 g/mol
LogP-1.31
Rot. Bonds

About hydrogen sulfate;1-methylpiperidin-1-ium

hydrogen sulfate;1-methylpiperidin-1-ium (PubChem CID 134716141) has the molecular formula C6H15NO4S and a molecular weight of 197.26 g/mol. Its IUPAC name is hydrogen sulfate;1-methylpiperidin-1-ium.

Molecular Properties

Compound Namehydrogen sulfate;1-methylpiperidin-1-ium
PubChem CID134716141
Molecular FormulaC6H15NO4S
Molecular Weight197.26 g/mol
Exact Mass197.07
IUPAC Namehydrogen sulfate;1-methylpiperidin-1-ium
SMILESC[NH+]1CCCCC1.O=S(=O)([O-])O
InChIInChI=1S/C6H13N.H2O4S/c1-7-5-3-2-4-6-7;1-5(2,3)4/h2-6H2,1H3;(H2,1,2,3,4)
InChIKeyUOTIBISWGOJBDS-UHFFFAOYSA-N
XLogP-1.31
TPSA81.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 5-1.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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;1-methylpiperidin-1-ium?
The IUPAC name of hydrogen sulfate;1-methylpiperidin-1-ium (CID 134716141) is hydrogen sulfate;1-methylpiperidin-1-ium.
What is the SMILES notation for hydrogen sulfate;1-methylpiperidin-1-ium?
The canonical SMILES for hydrogen sulfate;1-methylpiperidin-1-ium is C[NH+]1CCCCC1.O=S(=O)([O-])O.
What is the InChIKey of hydrogen sulfate;1-methylpiperidin-1-ium?
The InChIKey is UOTIBISWGOJBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.H2O4S/c1-7-5-3-2-4-6-7;1-5(2,3)4/h2-6H2,1H3;(H2,1,2,3,4).
What are the key properties of hydrogen sulfate;1-methylpiperidin-1-ium?
hydrogen sulfate;1-methylpiperidin-1-ium has a molecular weight of 197.26 g/mol, XLogP of -1.31, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen sulfate;1-methylpiperidin-1-ium is sourced from PubChem (CID 134716141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).