1-methyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonyl]piperazine

1-methyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonyl]piperazine

CAS: 1033743-79-1

Formula: C17H27BN2O4S

SMILES: CN1CCN(CC1)S(=O)(=O)C1=CC=CC(=C1)B1OC(C)(C)C(C)(C)O1

IUPAC: 1-methyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonyl]piperazine

InChI: InChI=1S/C17H27BN2O4S/c1-16(2)17(3,4)24-18(23-16)14-7-6-8-15(13-14)25(21,22)20-11-9-19(5)10-12-20/h6-8,13H,9-12H2,1-5H3

Composition: C (55.75%), H (7.43%), B (2.95%), N (7.65%), O (17.47%), S (8.75%)

Molar Mass: 366.28

Atom Count: 52

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	366.178459
Formal Charge	0
FSP3	0.65
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	IGCKYMGZVGIVIF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	93.71
Topological Polar Surface Area	59.08
Polarizability	39.28
Ring Count	3
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	1033743-79-1		$40.35-$180.32$40.35$66.83$180.32