hydrogen sulfate;piperidin-1-ium

C5H13NO4S — CID 69044781

IUPAChydrogen sulfate;piperidin-1-ium
SMILESC1CC[NH2+]CC1.O=S(=O)([O-])O
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-1.26
Rot. Bonds

About hydrogen sulfate;piperidin-1-ium

hydrogen sulfate;piperidin-1-ium (PubChem CID 69044781) has the molecular formula C5H13NO4S and a molecular weight of 183.23 g/mol. Its IUPAC name is hydrogen sulfate;piperidin-1-ium.

Molecular Properties

Compound Namehydrogen sulfate;piperidin-1-ium
PubChem CID69044781
Molecular FormulaC5H13NO4S
Molecular Weight183.23 g/mol
Exact Mass183.06
IUPAC Namehydrogen sulfate;piperidin-1-ium
SMILESC1CC[NH2+]CC1.O=S(=O)([O-])O
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-1.26
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 5-1.26
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;piperidin-1-ium?
The IUPAC name of hydrogen sulfate;piperidin-1-ium (CID 69044781) is hydrogen sulfate;piperidin-1-ium.
What is the SMILES notation for hydrogen sulfate;piperidin-1-ium?
The canonical SMILES for hydrogen sulfate;piperidin-1-ium is C1CC[NH2+]CC1.O=S(=O)([O-])O.
What is the InChIKey of hydrogen sulfate;piperidin-1-ium?
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;piperidin-1-ium?
hydrogen sulfate;piperidin-1-ium has a molecular weight of 183.23 g/mol, XLogP of -1.26, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen sulfate;piperidin-1-ium is sourced from PubChem (CID 69044781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).