1-Sulfamoylpiperidine-4-carboxylic Acid - CAS 1000932-67-1

Catalog:	BB072665
Product Name:	1-Sulfamoylpiperidine-4-carboxylic Acid
CAS:	1000932-67-1
Synonyms:	1-(Aminosulfonyl)-4-piperidinecarboxylic Acid

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	1-sulfamoylpiperidine-4-carboxylic acid
Description:	1-Sulfamoylpiperidine-4-carboxylic Acid is a useful research chemical used as a reactant in the preparation of substituted benzamides as RORγ agonists for the treatment of cancer.
Molecular Weight:	208.23
Molecular Formula:	C6H12N2O4S
Canonical SMILES:	C1CN(CCC1C(=O)O)S(=O)(=O)N
InChI:	InChI=1S/C6H12N2O4S/c7-13(11,12)8-3-1-5(2-4-8)6(9)10/h5H,1-4H2,(H,9,10)(H2,7,11,12)
InChI Key:	RHSCFCIWXIKLFP-UHFFFAOYSA-N
References:	Harikrishnan, L. S., et al. PCT Int. Appl. WO 2021026179, 234, (2021).

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	286
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	208.05177804
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	208.05177804
Rotatable Bond Count:	2
Topological Polar Surface Area:	109Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.1