4-(3-Piperidinylsulfonyl)-morpholine - CAS 591780-31-3

Catalog:	BB056645
Product Name:	4-(3-Piperidinylsulfonyl)-morpholine
CAS:	591780-31-3
Synonyms:	4-(piperidin-3-ylsulfonyl)morpholine

Technical Data

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Computed Properties

IUPAC Name:	4-piperidin-3-ylsulfonylmorpholine
Description:	4-(3-Piperidinylsulfonyl)-morpholine may be useful in the preparation of fused heteroarylimidazole derivs. as GCN2 inhibitors.
Molecular Weight:	234.31
Molecular Formula:	C9H18N2O3S
Canonical SMILES:	C1CC(CNC1)S(=O)(=O)N2CCOCC2
InChI:	InChI=1S/C9H18N2O3S/c12-15(13,9-2-1-3-10-8-9)11-4-6-14-7-5-11/h9-10H,1-8H2
InChI Key:	CETMZBUTGMAJLR-UHFFFAOYSA-N
References:	Bayly, A., et al. PCT Int. Appl., 1159pp., WO 2019148132 (2019).

Publication Number	Title	Priority Date
AU-2003248354-A1	Acc inhibitors	20020227
DE-60301491-T2	ACC INHIBITORS	20020227
EP-1478437-A1	Acc inhibitors	20020227
EP-1478437-B1	Acc inhibitors	20020227
ES-2246481-T3	ACC INHIBITORS	20020227
KR-20040095239-A	Acc inhibitors	20020227
US-2003187254-A1	Acetyl-CoA carboxylase inhibitors	20020227
US-6979741-B2	Acetyl-CoA carboxylase inhibitors	20020227
WO-03072197-A1	Acc inhibitors	20020227

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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:	293
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	234.10381361
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	234.10381361
Rotatable Bond Count:	2
Topological Polar Surface Area:	67Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.7