1-(4-methoxybenzenesulfonyl)piperidine-2-carboxylic acid

1-(4-methoxybenzenesulfonyl)piperidine-2-carboxylic acid

CAS: 253195-12-9

Formula: C13H17NO5S

SMILES: COC1=CC=C(C=C1)S(=O)(=O)N1CCCCC1C(O)=O

IUPAC: 1-(4-methoxybenzenesulfonyl)piperidine-2-carboxylic acid

InChI: InChI=1/C13H17NO5S/c1-19-10-5-7-11(8-6-10)20(17,18)14-9-3-2-4-12(14)13(15)16/h5-8,12H,2-4,9H2,1H3,(H,15,16)

Composition: C (52.16%), H (5.72%), N (4.68%), O (26.72%), S (10.71%)

Molar Mass: 299.34

Atom Count: 37

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	299.082743825
Formal Charge	0
FSP3	0.46
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	LLIAUQYRUNDBGT-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.44
Topological Polar Surface Area	83.91
Polarizability	29.05
Ring Count	2
Rotatable Bond Count	3

Suppliers

Life Chemicals USA, Inc.

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<7 Days	253195-12-9		$138.60-$1,738.44$138.60$239.58$413.82$827.64$1,241.46$1,738.44

MATRIX SCIENTIFIC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	253195-12-9		$404.27$404.27