piperazin-1-yl hydrogen sulfate

C4H10N2O4S — CID 57466020

IUPACpiperazin-1-yl hydrogen sulfate
SMILESO=S(=O)(O)ON1CCNCC1
InChIInChI=1S/C4H10N2O4S/c7-11(8,9)10-6-3-1-5-2-4-6/h5H,1-4H2,(H,7,8,9)
InChIKeySISXQLKUNVDOKW-UHFFFAOYSA-N
MW182.20 g/mol
LogP-1.37
Rot. Bonds2

About piperazin-1-yl hydrogen sulfate

piperazin-1-yl hydrogen sulfate (PubChem CID 57466020) has the molecular formula C4H10N2O4S and a molecular weight of 182.20 g/mol. Its IUPAC name is piperazin-1-yl hydrogen sulfate.

Molecular Properties

Compound Namepiperazin-1-yl hydrogen sulfate
PubChem CID57466020
Molecular FormulaC4H10N2O4S
Molecular Weight182.20 g/mol
Exact Mass182.04
IUPAC Namepiperazin-1-yl hydrogen sulfate
SMILESO=S(=O)(O)ON1CCNCC1
InChIInChI=1S/C4H10N2O4S/c7-11(8,9)10-6-3-1-5-2-4-6/h5H,1-4H2,(H,7,8,9)
InChIKeySISXQLKUNVDOKW-UHFFFAOYSA-N
XLogP-1.37
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

sodium;hydride;piperazin-1-yl ethanesulfonate
CID 175023018
dipiperazin-1-yl oxalate
CID 57296724
acetic acid;ethanesulfonic acid;1-ethoxypiperazine
CID 174521726
1-piperazin-1-yloxypiperazine;dihydrochloride
CID 174358981
piperazin-1-yl acetate
CID 54492305
dipiperazin-1-yl butanedioate
CID 69276754
2-hydroxy-1-piperazin-1-ylpropane-1-sulfonic acid
CID 19008585
ethanesulfonic acid;1-ethylpiperazine
CID 18427549
ethyl piperazine-1-carboxylate;sulfuric acid
CID 69107916
sodium;hydride;phosphono piperazin-1-yl hydrogen phosphate
CID 173148835
ethane;1-methoxypiperazine
CID 142806936
methane;1-methoxypiperazine
CID 142233800

Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl hydrogen sulfate?
The IUPAC name of piperazin-1-yl hydrogen sulfate (CID 57466020) is piperazin-1-yl hydrogen sulfate.
What is the SMILES notation for piperazin-1-yl hydrogen sulfate?
The canonical SMILES for piperazin-1-yl hydrogen sulfate is O=S(=O)(O)ON1CCNCC1.
What is the InChIKey of piperazin-1-yl hydrogen sulfate?
The InChIKey is SISXQLKUNVDOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O4S/c7-11(8,9)10-6-3-1-5-2-4-6/h5H,1-4H2,(H,7,8,9).
What are the key properties of piperazin-1-yl hydrogen sulfate?
piperazin-1-yl hydrogen sulfate has a molecular weight of 182.20 g/mol, XLogP of -1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl hydrogen sulfate is sourced from PubChem (CID 57466020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).