3-{[4-(piperidine-1-sulfonyl)phenyl]carbamoyl}propanoic acid

3-{[4-(piperidine-1-sulfonyl)phenyl]carbamoyl}propanoic acid

CAS: 314764-11-9

Formula: C15H20N2O5S

SMILES: OC(=O)CCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N1CCCCC1

IUPAC: 3-{[4-(piperidine-1-sulfonyl)phenyl]carbamoyl}propanoic acid

InChI: InChI=1S/C15H20N2O5S/c18-14(8-9-15(19)20)16-12-4-6-13(7-5-12)23(21,22)17-10-2-1-3-11-17/h4-7H,1-3,8-11H2,(H,16,18)(H,19,20)

Composition: C (52.93%), H (5.92%), N (8.23%), O (23.50%), S (9.42%)

Molar Mass: 340.39

Atom Count: 43

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	340.109292926
Formal Charge	0
FSP3	0.47
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	TXKJRBUZNKEHNZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	85.91
Topological Polar Surface Area	103.78
Polarizability	33.26
Ring Count	2
Rotatable Bond Count	5

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