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methyl 4-amino-1,1-dioxo-1λ⁶-thiane-4-carboxylate

methyl 4-amino-1,1-dioxo-1λ⁶-thiane-4-carboxylate - CAS 887245-52-5

Catalog:	BB039157
Product Name:	methyl 4-amino-1,1-dioxo-1λ⁶-thiane-4-carboxylate
CAS:	887245-52-5
Synonyms:	4-amino-1,1-dioxo-4-thianecarboxylic acid methyl ester; methyl 4-amino-1,1-dioxothiane-4-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 4-amino-1,1-dioxothiane-4-carboxylate
Description:	methyl 4-amino-1,1-dioxo-1λ⁶-thiane-4-carboxylate (CAS# 887245-52-5) is a useful research chemical.
Molecular Weight:	207.244
Molecular Formula:	C7H13NO4S
Canonical SMILES:	COC(=O)C1(CCS(=O)(=O)CC1)N
InChI:	InChI=1S/C7H13NO4S/c1-12-6(9)7(8)2-4-13(10,11)5-3-7/h2-5,8H2,1H3
InChI Key:	PRVCXEQAGFJWKX-UHFFFAOYSA-N
LogP:	0.84660

Publication Number	Title	Priority Date
WO-2014160649-A1	Hydroxamic acid derivatives as lpxc inhibitors for the treatment of bacterial infections	20130329
JP-2008285481-A	Pharmaceutical composition	20070420
JP-4994295-B2	Pharmaceutical composition	20070420
EP-2035427-A2	Pyrazolo[1,5-a]pyrimidine compounds as cb1 receptor antagonist	20060705
EP-2035427-B1	Pyrazolo[1,5-a]pyrimidine compounds as cb1 receptor antagonist	20060705

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Complexity:	289
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	207.05652907
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	207.05652907
Rotatable Bond Count:	2
Topological Polar Surface Area:	94.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.1