1-Boc-4-piperidinesulfonyl Chloride - CAS 782501-25-1

Catalog:	BB036142
Product Name:	1-Boc-4-piperidinesulfonyl Chloride
CAS:	782501-25-1
Synonyms:	4-chlorosulfonyl-1-piperidinecarboxylic acid tert-butyl ester; tert-butyl 4-chlorosulfonylpiperidine-1-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl 4-chlorosulfonylpiperidine-1-carboxylate
Description:	1-Boc-4-piperidinesulfonyl Chloride (CAS# 782501-25-1) is a useful research chemical.
Molecular Weight:	283.77
Molecular Formula:	C10H18ClNO4S
Canonical SMILES:	CC(C)(C)OC(=O)N1CCC(CC1)S(=O)(=O)Cl
InChI:	InChI=1S/C10H18ClNO4S/c1-10(2,3)16-9(13)12-6-4-8(5-7-12)17(11,14)15/h8H,4-7H2,1-3H3
InChI Key:	VJAHMDQRVLEOFG-UHFFFAOYSA-N
Boiling Point:	369.5 °C at 760 mmHg
Density:	1.3 g/cm³
MDL:	MFCD01861750
LogP:	2.97320

Publication Number	Title	Priority Date
KR-20210108274-A	1,3,4-Oxadiazole Derivative Compounds as Histone Deacetylase 6 Inhibitor, and the Pharmaceutical Composition Comprising the same	20200225
WO-2021148420-A1	Novel heterocyclic compounds	20200122
WO-2020178316-A1	5- or 7-azaindazoles as beta-lactamase inhibitors	20190305
WO-2020148703-A1	Compounds and compositions for the treatment of cystic fibrosis	20190116
WO-2020042995-A1	Highly active sting protein agonist compound	20180829

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Related Functional Groups

Piperidines

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Ethyl 1-(4-methyl-6-(trifluoromethyl)pyrimidin-2-yl)piperidine-3-carboxylate
[832740-03-1]
Ethyl 1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylate
[1363166-24-8]
Ethyl 1-Boc-3-isopropylpiperidine-3-carboxylate
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Ethyl 2-(3-piperidinyl)acetate
[58859-46-4]
Ethyl 4-amino-1-piperidinecarboxylate

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	374
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	283.0645069
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	283.0645069
Rotatable Bond Count:	3
Topological Polar Surface Area:	72.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8