methyl 1-(4-methylbenzenesulfonyl)pyrrolidine-2-carboxylate

methyl 1-(4-methylbenzenesulfonyl)pyrrolidine-2-carboxylate

CAS: 388615-74-5

Formula: C13H17NO4S

SMILES: COC(=O)C1CCCN1S(=O)(=O)C1=CC=C(C)C=C1

IUPAC: methyl 1-(4-methylbenzenesulfonyl)pyrrolidine-2-carboxylate

InChI: InChI=1/C13H17NO4S/c1-10-5-7-11(8-6-10)19(16,17)14-9-3-4-12(14)13(15)18-2/h5-8,12H,3-4,9H2,1-2H3

Composition: C (55.11%), H (6.05%), N (4.94%), O (22.59%), S (11.31%)

Molar Mass: 283.34

Atom Count: 36

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	283.087829205
Formal Charge	0
FSP3	0.46
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	ZWRPAGBRJCRZON-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	71.19
Topological Polar Surface Area	63.68
Polarizability	28.5
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	388615-74-5		$244.63-$3,023.88$244.63$392.17$673.37$1,008.80$3,023.88