2-[4-(benzenesulfonyl)piperazin-1-yl]acetic acid - CAS 937654-58-5

Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]acetic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB041069
Product Name:	2-[4-(benzenesulfonyl)piperazin-1-yl]acetic acid
CAS:	937654-58-5
Synonyms:	2-[4-(benzenesulfonyl)-1-piperazinyl]acetic acid; 2-[4-(benzenesulfonyl)piperazin-1-yl]acetic acid

Technical Data

IUPAC Name:	2-[4-(benzenesulfonyl)piperazin-1-yl]acetic acid
Description:	2-[4-(benzenesulfonyl)piperazin-1-yl]acetic acid (CAS# 937654-58-5 ) is a useful research chemical.
Molecular Weight:	284.33
Molecular Formula:	C12H16N2O4S
Canonical SMILES:	C1CN(CCN1CC(=O)O)S(=O)(=O)C2=CC=CC=C2
InChI:	InChI=1S/C12H16N2O4S/c15-12(16)10-13-6-8-14(9-7-13)19(17,18)11-4-2-1-3-5-11/h1-5H,6-10H2,(H,15,16)
InChI Key:	CPMVTLXGTKVQRJ-UHFFFAOYSA-N
Boiling Point:	479.5±55.0 °C (760 mmHg)
Density:	1.366±0.06 g/cm³ (20 °C, 760 mmH g)
LogP:	1.03410

Publication Number	Title	Priority Date
WO-2020006341-A1	(s)-3-(2-(4-(benzyl)-3-oxopiperazin-1-yl)acetamido)-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid derivatives and related compounds as caspase inhibitors for treating cardiovascular diseases	20180629
CA-3105352-A1	(s)-3-(2-(4-(benzyl)-3-oxopiperazin-1-yl)acetamido)-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid derivatives and related compounds as caspase inhibitors for treating cardiovascular diseases	20180629
EP-3814327-A1	(s)-3-(2-(4-(benzyl)-3-oxopiperazin-1-yl)acetamido)-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid derivatives and related compounds as caspase inhibitors for treating cardiovascular diseases	20180629
US-2021277014-A1	(s)-3-(2-(4-(benzyl)-3-oxopiperazin-1-yl)acetamido)-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid derivatives and related compounds as caspase inhibitors for treating cardiovascular diseases	20180629
US-2002022615-A1	Cyclic oxyguanidine protease inhibitors	20000804

Complexity:	404
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	284.08307817
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	284.08307817
Rotatable Bond Count:	4
Topological Polar Surface Area:	86.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.8