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C8H18N2O6S2CAS 5625-37-6302.36 g/mol

Open in Covalent MOL file
OSOOHNNSOOOH
Sulfonic acidTertiary amine

Properties

Molecular formula
C8H18N2O6S2
Molar mass
302.36 g/mol
Exact mass
302.0606 Da
logP
-1.62Crippen estimate
Polar surface area
115.2 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
6

Identifiers

CAS number
5625-37-6
SMILES
O=S(=O)(O)CCN1CCN(CCS(=O)(=O)O)CC1
InChIKey
IHPYMWDTONKSCO-UHFFFAOYSA-N
InChI
InChI=1S/C8H18N2O6S2/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)

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

Names and synonyms

7 names
  • 1,4-Piperazinediethanesulfonic acid
  • 1,4-Piperazinebis(ethanesulfonic acid)
  • Piperazine-N,N′-bis(2-ethanesulfonic acid)
  • NSC 157117
  • Piperazine-1,4-bis(2-ethanesulfonic acid)
  • 2,2′-Piperazine-1,4-diyl-bis-ethanesulfonic acid
  • 2-[4-(2-Sulfoethyl)piperazin-1-yl]ethanesulfonic acid

Work with Pipes

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

Hepes7365-45-978 % similar N,N-Bis(2-hydroxyethyl)-2-aminoethanesulfonic acid10191-18-174 % similar Mes (buffer)4432-31-971 % similar Sodium 1,4-piperazinediethanesulfonate (3:2)100037-69-264 % similar Sodium 1,4-piperazinediethanesulfonate (1:1)10010-67-064 % similar 4-Morpholineethanesulfonic acid hydrate (1:1)145224-94-863 % similar Hepps (buffer)16052-06-559 % similar Ethanedisulfonic acid110-04-358 % similar

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

Elsewhere

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