sodium;2-(4-ethoxypiperazin-1-yl)ethanesulfonic acid;hydride

C8H19N2NaO4S — CID 174954120

IUPACsodium;2-(4-ethoxypiperazin-1-yl)ethanesulfonic acid;hydride
SMILESCCON1CCN(CCS(=O)(=O)O)CC1.[H-].[Na+]
InChIInChI=1S/C8H18N2O4S.Na.H/c1-2-14-10-5-3-9(4-6-10)7-8-15(11,12)13;;/h2-8H2,1H3,(H,11,12,13);;/q;+1;-1
InChIKeyNDVFGLKVURCSLX-UHFFFAOYSA-N
MW262.31 g/mol
LogP-3.44
Rot. Bonds5

About sodium;2-(4-ethoxypiperazin-1-yl)ethanesulfonic acid;hydride

sodium;2-(4-ethoxypiperazin-1-yl)ethanesulfonic acid;hydride (PubChem CID 174954120) has the molecular formula C8H19N2NaO4S and a molecular weight of 262.31 g/mol. Its IUPAC name is sodium;2-(4-ethoxypiperazin-1-yl)ethanesulfonic acid;hydride.

Molecular Properties

Compound Namesodium;2-(4-ethoxypiperazin-1-yl)ethanesulfonic acid;hydride
PubChem CID174954120
Molecular FormulaC8H19N2NaO4S
Molecular Weight262.31 g/mol
Exact Mass262.10
IUPAC Namesodium;2-(4-ethoxypiperazin-1-yl)ethanesulfonic acid;hydride
SMILESCCON1CCN(CCS(=O)(=O)O)CC1.[H-].[Na+]
InChIInChI=1S/C8H18N2O4S.Na.H/c1-2-14-10-5-3-9(4-6-10)7-8-15(11,12)13;;/h2-8H2,1H3,(H,11,12,13);;/q;+1;-1
InChIKeyNDVFGLKVURCSLX-UHFFFAOYSA-N
XLogP-3.44
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 5-3.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;2-(4-ethoxypiperazin-1-yl)ethanesulfonic acid;hydride?
The IUPAC name of sodium;2-(4-ethoxypiperazin-1-yl)ethanesulfonic acid;hydride (CID 174954120) is sodium;2-(4-ethoxypiperazin-1-yl)ethanesulfonic acid;hydride.
What is the SMILES notation for sodium;2-(4-ethoxypiperazin-1-yl)ethanesulfonic acid;hydride?
The canonical SMILES for sodium;2-(4-ethoxypiperazin-1-yl)ethanesulfonic acid;hydride is CCON1CCN(CCS(=O)(=O)O)CC1.[H-].[Na+].
What is the InChIKey of sodium;2-(4-ethoxypiperazin-1-yl)ethanesulfonic acid;hydride?
The InChIKey is NDVFGLKVURCSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4S.Na.H/c1-2-14-10-5-3-9(4-6-10)7-8-15(11,12)13;;/h2-8H2,1H3,(H,11,12,13);;/q;+1;-1.
What are the key properties of sodium;2-(4-ethoxypiperazin-1-yl)ethanesulfonic acid;hydride?
sodium;2-(4-ethoxypiperazin-1-yl)ethanesulfonic acid;hydride has a molecular weight of 262.31 g/mol, XLogP of -3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-(4-ethoxypiperazin-1-yl)ethanesulfonic acid;hydride is sourced from PubChem (CID 174954120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).