CAS 16052-06-5|3-[4-(2-Hydroxyethyl)-1-piperazinyl]-1-propanesulfonic acid|EPPS|3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid|EPPS|HEPPS|HEPPS|4-(2-羟乙基)-1-哌嗪丙磺酸|N-2-Hydroxyethy...

General Information

Structure

Molecular Formula

C₉H₂₀N₂O₄S

Molecular Mass

252.3311

Exact Mass

252.11437813

Charge

InChI

InChI=1S/C9H20N2O4S/c12-8-7-11-5-3-10(4-6-11)2-1-9-16(13,14)15/h12H,1-9H2,(H,13,14,15)

InChIKey

OWXMKDGYPWMGEB-UHFFFAOYSA-N

Canonic Smiles

OCCN1CCN(CC1)CCCS(=O)(=O)O

Isomeric Smiles

S(=O)(=O)(O)CCCN1CCN(CC1)CCO

Calculated Properties

JChem

LogD (pH = 7.4)

-3.16

LogD (pH = 5.5)

-3.05

Log P

-3.05

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Acid pKa

-0.83

Polar Surface Area

81.08

Polarizability

26.55

Molar Refractivity

61.88

LOG S

1.38

Data Source

Names and Identifiers

Synonyms

3-[4-(2-Hydroxyethyl)-1-piperazinyl]-1-propanesulfonic acidEPPSHEPPSHEPPS4-(2-羟乙基)-1-哌嗪丙磺酸N-2-Hydroxyethylpiperazine-N'-3-propanesulfonic acidEPPS4-(2-Hydroxyethyl)piperazine-1-propanesulfonic acidN-(2-Hydroxyethyl)piperazine-N′-(3-propanesulfonic acid)N-(2-羟乙基)哌嗪-N′-(3-丙磺酸)4-(2-Hydroxyethyl)-1-piperazinepropanesulfonic acid4-羟乙基哌嗪丙磺酸N-(2-Hydroxyethyl)piperazine-N'-(3-propanesulfonic acid)3-(4-(2-Hydroxyethyl)piperazin-1-yl)propane-1-sulfonic acid4-(2-羟乙基)-1-哌嗪丙磺酸Hepps4-(2-hydroxyethyl)-1-piperazinepropanesulfonic acidEPPS

IUPAC Traditional name

EPPS

IUPAC name

3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid

Names and Identifiers

Registration numbers

CAS Number

16052-06-5

Beilstein Number

3957385

PubChem SID

2489436624894443162058354248787812489469826697259