N-(1-Boc-azetidin-3-ylidene)-2-methylpropane-2-sulfinamide - CAS 1291487-32-5

Name: N-(1-Boc-azetidin-3-ylidene)-2-methylpropane-2-sulfinamide
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB006972
Product Name:	N-(1-Boc-azetidin-3-ylidene)-2-methylpropane-2-sulfinamide
CAS:	1291487-32-5
Synonyms:	3-tert-butylsulfinylimino-1-azetidinecarboxylic acid tert-butyl ester; tert-butyl 3-tert-butylsulfinyliminoazetidine-1-carboxylate

Technical Data

IUPAC Name:	tert-butyl 3-tert-butylsulfinyliminoazetidine-1-carboxylate
Description:	N-(1-Boc-azetidin-3-ylidene)-2-methylpropane-2-sulfinamide (CAS# 1291487-32-5) is a useful research chemical.
Molecular Weight:	274.38
Molecular Formula:	C12H22N2O3S
Canonical SMILES:	CC(C)(C)OC(=O)N1CC(=NS(=O)C(C)(C)C)C1
InChI:	InChI=1S/C12H22N2O3S/c1-11(2,3)17-10(15)14-7-9(8-14)13-18(16)12(4,5)6/h7-8H2,1-6H3
InChI Key:	JOBIXWHPZPUSTM-UHFFFAOYSA-N
Storage:	Sealed in dry, 2-8 °C
MDL:	MFCD18839250
LogP:	2.94390

Publication Number	Title	Priority Date
CN-111423434-A	Carbonamide derivative and preparation method thereof	20190109
EP-2831066-A1	Benzofuran derivatives for the treatment of hepatitis c	20120327
EP-2831066-B1	Benzofuran derivatives for the treatment of hepatitis c	20120327
US-2015141395-A1	Benzofuran derivatives for the treatment of hepatitis c	20120327
US-9096580-B2	Benzofuran derivatives for the treatment of hepatitis C	20120327

Complexity:	383
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	274.13511374
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	274.13511374
Rotatable Bond Count:	4
Topological Polar Surface Area:	78.2
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4