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tert-butyl (2S)-2-{[(4-methylbenzenesulfonyl)oxy]methyl}morpholine-4-carboxylate

tert-butyl (2S)-2-{[(4-methylbenzenesulfonyl)oxy]methyl}morpholine-4-carboxylate

CAS: 148638-76-0

Formula: C17H25NO6S

SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]1CN(CCO1)C(=O)OC(C)(C)C

IUPAC: tert-butyl (2S)-2-{[(4-methylbenzenesulfonyl)oxy]methyl}morpholine-4-carboxylate

InChI: InChI=1S/C17H25NO6S/c1-13-5-7-15(8-6-13)25(20,21)23-12-14-11-18(9-10-22-14)16(19)24-17(2,3)4/h5-8,14H,9-12H2,1-4H3/t14-/m0/s1

Composition: C (54.97%), H (6.78%), N (3.77%), O (25.84%), S (8.63%)

Molar Mass: 371.45

Atom Count: 50

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 371.140258703
Formal Charge 0
FSP3 0.59
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey LOBHRXDXENCDIZ-AWEZNQCLSA-N
Lipinski's Rule of Five 1
Molar Refractivity 92.67
Topological Polar Surface Area 82.14
Polarizability 37.28
Ring Count 2
Rotatable Bond Count 6

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