2-methyl-5-(piperidine-1-sulfonyl)phenylboronic acid

2-methyl-5-(piperidine-1-sulfonyl)phenylboronic acid

CAS: 871333-00-5

Formula: C12H18BNO4S

SMILES: CC1=CC=C(C=C1B(O)O)S(=O)(=O)N1CCCCC1

IUPAC: [2-methyl-5-(piperidine-1-sulfonyl)phenyl]boronic acid

InChI: InChI=1S/C12H18BNO4S/c1-10-5-6-11(9-12(10)13(15)16)19(17,18)14-7-3-2-4-8-14/h5-6,9,15-16H,2-4,7-8H2,1H3

Composition: C (50.90%), H (6.41%), B (3.82%), N (4.95%), O (22.60%), S (11.32%)

Molar Mass: 283.15

Atom Count: 37

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	283.104959
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	QPJRVQFTOJXHOV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	69.74
Topological Polar Surface Area	77.84
Polarizability	29.08
Ring Count	2
Rotatable Bond Count	2

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