piperidine-3-sulfonic acid - CAS 51036-12-5

Catalog:	BB027301
Product Name:	piperidine-3-sulfonic acid
CAS:	51036-12-5
Synonyms:	3-piperidinesulfonic acid; piperidine-3-sulfonic acid

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Computed Properties

IUPAC Name:	piperidine-3-sulfonic acid
Description:	piperidine-3-sulfonic acid (CAS# 51036-12-5) is an isomer of piperidine-4-sulfonic acid, a new specific GABA agonist.
Molecular Weight:	165.21
Molecular Formula:	C5H11NO3S
Canonical SMILES:	C1CC(CNC1)S(=O)(=O)O
InChI:	InChI=1S/C5H11NO3S/c7-10(8,9)5-2-1-3-6-4-5/h5-6H,1-4H2,(H,7,8,9)
InChI Key:	JHRHBIGQXOSCLY-UHFFFAOYSA-N
LogP:	1.03580

Publication Number	Title	Priority Date
WO-2021203033-A2	Methods and compositions to alter hepatic gaba release to treat obesity-related conditions	20200402
WO-2021107122-A1	Hypoxia response control by specific amino acid or amino acid-like substance	20191129
WO-2021062048-A2	Methods and systems for modulating hepatic gaba production or release to alter food intake in monogastric species	20190924
WO-2019172969-A1	Methods for promoting myelination and for treating demyelinating diseases	20180308
AU-2018411573-A1	Methods for promoting myelination and for treating demyelinating diseases	20180308

PMID	Publication Date	Title	Journal
16540097	20060514	Inhibition of rabbit brain 4-aminobutyrate transaminase by some taurine analogues: a kinetic analysis	Biochemical pharmacology
16583317	20060501	GABA-mediated effects of some taurine derivatives injected i.c.v. on rabbit rectal temperature and gross motor behavior	Amino acids
12684273	20030301	Interactions of taurine and structurally related analogues with the GABAergic system and taurine binding sites of rabbit brain	British journal of pharmacology

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Related Functional Groups

Piperidines

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[758720-54-6]
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[2355617-42-2]
3-(1-(tert-Butoxycarbonyl)piperidin-4-yl)cyclobutane-1-carboxylic acid
[1005629-22-0]
Ethyl 1-((1-ethyl-3-methyl-1H-pyrazol-4-yl)sulfonyl)piperidine-3-carboxylate
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Ethyl 1-(ethylsulfonyl)piperidine-3-carboxylate
[832118-87-3]
Ethyl 1-(ethylsulfonyl)piperidine-4-carboxylate

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	193
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	165.04596439
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	165.04596439
Rotatable Bond Count:	1
Topological Polar Surface Area:	74.8 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	-3