chempirical

Sodium pipesate

C8H16N2Na2O6S2CAS 76836-02-7346.32 g/mol

Open in Covalent MOL file
O−SOONNSO−OONa+Na+
Sulfonic acidTertiary amine

Properties

Molecular formula
C8H16N2Na2O6S2
Molar mass
346.32 g/mol
Exact mass
346.0245 Da
logP
-2.38Crippen estimate
Polar surface area
115.2 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
6

Identifiers

CAS number
76836-02-7
SMILES
[O-]S(=O)(=O)CCN1CCN(CCS([O-])(=O)=O)CC1.[Na+].[Na+]
InChIKey
UCZIZFYYUFRPLB-UHFFFAOYSA-N
InChI
InChI=1S/C8H18N2O6S2.2Na/c11-17(12,13)7-5-9-1-2-10(4-3-9)6-8-18(14,15)16;;/h1-8H2,(H,11,12,13)(H,14,15,16);;

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • 1,4-Piperazinediethanesulfonic acid, sodium salt (1:2)
  • 1,4-Piperazinediethanesulfonic acid, disodium salt
  • Disodium 1,4-piperazinebis(ethanesulfonate)
  • Piperazine-1,4-bis(2-ethanesulfonic acid) disodium salt

Work with Sodium pipesate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Sodium hepes75277-39-378 % similar Sodium 1,4-piperazinediethanesulfonate (3:2)100037-69-275 % similar Sodium 1,4-piperazinediethanesulfonate (1:1)10010-67-075 % similar Dipotassium piperazine-1,4-bis(2-ethanesulfonate)108321-27-375 % similar Sodium 2-(N-morpholino)ethanesulfonate71119-23-874 % similar Disodium 1,2-ethanedisulfonate5325-43-964 % similar Disodium butane-1,4-disulfonate36589-61-458 % similar 3-(N-Morpholino)propanesulfonic acid sodium salt71119-22-758 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook