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tert-butyl N-{5-[(4-methylbenzenesulfonyl)oxy]pentyl}carbamate

tert-butyl N-{5-[(4-methylbenzenesulfonyl)oxy]pentyl}carbamate

CAS: 118811-34-0

Formula: C17H27NO5S

SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCCCCCNC(=O)OC(C)(C)C

IUPAC: tert-butyl N-{5-[(4-methylbenzenesulfonyl)oxy]pentyl}carbamate

InChI: InChI=1S/C17H27NO5S/c1-14-8-10-15(11-9-14)24(20,21)22-13-7-5-6-12-18-16(19)23-17(2,3)4/h8-11H,5-7,12-13H2,1-4H3,(H,18,19)

Composition: C (57.12%), H (7.61%), N (3.92%), O (22.38%), S (8.97%)

Molar Mass: 357.47

Atom Count: 51

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 357.160994147
Formal Charge 0
FSP3 0.59
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey RAOOQXZPVIXTHJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 93.14
Topological Polar Surface Area 81.7
Polarizability 37.27
Ring Count 1
Rotatable Bond Count 10

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