chempirical

Piperazine-N,N′-bis(2-hydroxypropanesulfonic acid)

C10H22N2O8S2CAS 68189-43-5362.41 g/mol

Open in Covalent MOL file
OSOHOHONNOHSOOOH
AlcoholSulfonic acidTertiary amine

Properties

Molecular formula
C10H22N2O8S2
Molar mass
362.41 g/mol
Exact mass
362.0818 Da
logP
-2.90Crippen estimate
Polar surface area
155.7 Ų
H-bond donors / acceptors
4 / 8
Rotatable bonds
8

Identifiers

CAS number
68189-43-5
SMILES
O=S(=O)(O)CC(O)CN1CCN(CC(O)CS(=O)(=O)O)CC1
InChIKey
LVQFQZZGTZFUNF-UHFFFAOYSA-N
InChI
InChI=1S/C10H22N2O8S2/c13-9(7-21(15,16)17)5-11-1-2-12(4-3-11)6-10(14)8-22(18,19)20/h9-10,13-14H,1-8H2,(H,15,16,17)(H,18,19,20)

Weigh it out

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

Names and synonyms

5 names
  • 1,4-Piperazinedipropanesulfonic acid, β1,β4-dihydroxy-
  • 1,4-Piperazinedipropanesulfonic acid, β,β′-dihydroxy-
  • β1,β4-Dihydroxy-1,4-piperazinedipropanesulfonic acid
  • POPSO
  • 2-Hydroxy-3-[4-(2-hydroxy-3-sulfopropyl)piperazin-1-yl]propane-1-sulfonic acid

Work with Piperazine-N,N′-bis(2-hydroxypropanesulfonic acid)

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

N-2-Hydroxyethylpiperazine-N′-2-hydroxypropanesulfonic acid68399-78-080 % similar 3-[Bis(2-hydroxyethyl)amino]-2-hydroxypropanesulfonic acid68399-80-479 % similar 2-Hydroxy-3-morpholinopropanesulfonic acid68399-77-977 % similar Pipes5625-37-645 % similar Capso73463-39-544 % similar 3-[N,N-Bis(hydroxyethyl)amino]-2-hydroxypropanesulphonic acid sodium salt102783-62-044 % similar Tapso68399-81-543 % similar Ampso68399-79-140 % similar

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

Elsewhere

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