tert-butyl 4-[(4-methylbenzenesulfonamido)imino]piperidine-1-carboxylate

tert-butyl 4-[(4-methylbenzenesulfonamido)imino]piperidine-1-carboxylate

CAS: 1046478-89-0

Formula: C17H25N3O4S

SMILES: CC1=CC=C(C=C1)S(=O)(=O)NN=C1CCN(CC1)C(=O)OC(C)(C)C

IUPAC: tert-butyl 4-[(4-methylbenzenesulfonamido)imino]piperidine-1-carboxylate

InChI: InChI=1S/C17H25N3O4S/c1-13-5-7-15(8-6-13)25(22,23)19-18-14-9-11-20(12-10-14)16(21)24-17(2,3)4/h5-8,19H,9-12H2,1-4H3

Composition: C (55.57%), H (6.86%), N (11.44%), O (17.42%), S (8.72%)

Molar Mass: 367.46

Atom Count: 50

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	367.156577471
Formal Charge	0
FSP3	0.53
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	YOQAQRNVUNKUCQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	95.88
Topological Polar Surface Area	88.07
Polarizability	37.72
Ring Count	2
Rotatable Bond Count	4

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