sodium;hydride;piperazin-1-yl ethanesulfonate

C6H15N2NaO3S — CID 175023018

IUPACsodium;hydride;piperazin-1-yl ethanesulfonate
SMILESCCS(=O)(=O)ON1CCNCC1.[H-].[Na+]
InChIInChI=1S/C6H14N2O3S.Na.H/c1-2-12(9,10)11-8-5-3-7-4-6-8;;/h7H,2-6H2,1H3;;/q;+1;-1
InChIKeyGSOJXANQHAPHJZ-UHFFFAOYSA-N
MW218.25 g/mol
LogP-3.71
Rot. Bonds3

About sodium;hydride;piperazin-1-yl ethanesulfonate

sodium;hydride;piperazin-1-yl ethanesulfonate (PubChem CID 175023018) has the molecular formula C6H15N2NaO3S and a molecular weight of 218.25 g/mol. Its IUPAC name is sodium;hydride;piperazin-1-yl ethanesulfonate.

Molecular Properties

Compound Namesodium;hydride;piperazin-1-yl ethanesulfonate
PubChem CID175023018
Molecular FormulaC6H15N2NaO3S
Molecular Weight218.25 g/mol
Exact Mass218.07
IUPAC Namesodium;hydride;piperazin-1-yl ethanesulfonate
SMILESCCS(=O)(=O)ON1CCNCC1.[H-].[Na+]
InChIInChI=1S/C6H14N2O3S.Na.H/c1-2-12(9,10)11-8-5-3-7-4-6-8;;/h7H,2-6H2,1H3;;/q;+1;-1
InChIKeyGSOJXANQHAPHJZ-UHFFFAOYSA-N
XLogP-3.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-3.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

piperazin-1-yl hydrogen sulfate
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acetic acid;ethanesulfonic acid;1-ethoxypiperazine
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piperazin-1-yl propanoate
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ethanesulfonic acid;1-ethylpiperazine
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[1-(2-hydroxyethyl)piperazin-2-yl] ethanesulfonate
CID 175242673
ethane;1-methoxypiperazine
CID 142806936
methane;1-methoxypiperazine
CID 142233800
methane;1-methoxypiperazine
CID 157354149
sodium;hydride;phosphono piperazin-1-yl hydrogen phosphate
CID 173148835
ethyl piperazine-1-carboxylate;sulfuric acid
CID 69107916
1-(2-ethylsulfonylpropan-2-yl)piperazine
CID 117037875

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;piperazin-1-yl ethanesulfonate?
The IUPAC name of sodium;hydride;piperazin-1-yl ethanesulfonate (CID 175023018) is sodium;hydride;piperazin-1-yl ethanesulfonate.
What is the SMILES notation for sodium;hydride;piperazin-1-yl ethanesulfonate?
The canonical SMILES for sodium;hydride;piperazin-1-yl ethanesulfonate is CCS(=O)(=O)ON1CCNCC1.[H-].[Na+].
What is the InChIKey of sodium;hydride;piperazin-1-yl ethanesulfonate?
The InChIKey is GSOJXANQHAPHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O3S.Na.H/c1-2-12(9,10)11-8-5-3-7-4-6-8;;/h7H,2-6H2,1H3;;/q;+1;-1.
What are the key properties of sodium;hydride;piperazin-1-yl ethanesulfonate?
sodium;hydride;piperazin-1-yl ethanesulfonate has a molecular weight of 218.25 g/mol, XLogP of -3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;piperazin-1-yl ethanesulfonate is sourced from PubChem (CID 175023018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).