hydrogen sulfate;pyrrolidin-1-ium

C4H11NO4S — CID 68807993

IUPAChydrogen sulfate;pyrrolidin-1-ium
SMILESC1CC[NH2+]C1.O=S(=O)([O-])O
InChIInChI=1S/C4H9N.H2O4S/c1-2-4-5-3-1;1-5(2,3)4/h5H,1-4H2;(H2,1,2,3,4)
InChIKeyFVDGTLHSSRKHBI-UHFFFAOYSA-N
MW169.20 g/mol
LogP-1.65
Rot. Bonds

About hydrogen sulfate;pyrrolidin-1-ium

hydrogen sulfate;pyrrolidin-1-ium (PubChem CID 68807993) has the molecular formula C4H11NO4S and a molecular weight of 169.20 g/mol. Its IUPAC name is hydrogen sulfate;pyrrolidin-1-ium.

Molecular Properties

Compound Namehydrogen sulfate;pyrrolidin-1-ium
PubChem CID68807993
Molecular FormulaC4H11NO4S
Molecular Weight169.20 g/mol
Exact Mass169.04
IUPAC Namehydrogen sulfate;pyrrolidin-1-ium
SMILESC1CC[NH2+]C1.O=S(=O)([O-])O
InChIInChI=1S/C4H9N.H2O4S/c1-2-4-5-3-1;1-5(2,3)4/h5H,1-4H2;(H2,1,2,3,4)
InChIKeyFVDGTLHSSRKHBI-UHFFFAOYSA-N
XLogP-1.65
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 5-1.65
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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Related Compounds

bis(piperidin-1-ium) diacetate
CID 141266266
strontium hydrogen sulfate
CID 160697720
hydrogen sulfate;zirconium(4+)
CID 11213772
bis(pyrrolidin-1-ium) dichloride
CID 141446574
sodium;hydrogen sulfate;phosphorous acid
CID 160651784
4-(2-chloroethyl)piperidin-1-ium;hydrogen sulfate
CID 11139402
pyrrolidin-1-ium;1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonate
CID 165362311
sodium;hydrogen peroxide;hydrogen sulfate
CID 159927283
piperidin-1-ium;bis(rubidium(1+))
CID 153447813
hydrogen sulfate;hydron;silver
CID 173307708
CID 20581843
CID 20581843
sodium;piperidin-1-ium;acetate;hydroxide
CID 140685864

Frequently Asked Questions

What is the IUPAC name of hydrogen sulfate;pyrrolidin-1-ium?
The IUPAC name of hydrogen sulfate;pyrrolidin-1-ium (CID 68807993) is hydrogen sulfate;pyrrolidin-1-ium.
What is the SMILES notation for hydrogen sulfate;pyrrolidin-1-ium?
The canonical SMILES for hydrogen sulfate;pyrrolidin-1-ium is C1CC[NH2+]C1.O=S(=O)([O-])O.
What is the InChIKey of hydrogen sulfate;pyrrolidin-1-ium?
The InChIKey is FVDGTLHSSRKHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N.H2O4S/c1-2-4-5-3-1;1-5(2,3)4/h5H,1-4H2;(H2,1,2,3,4).
What are the key properties of hydrogen sulfate;pyrrolidin-1-ium?
hydrogen sulfate;pyrrolidin-1-ium has a molecular weight of 169.20 g/mol, XLogP of -1.65, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen sulfate;pyrrolidin-1-ium is sourced from PubChem (CID 68807993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).