[1-(4-methylbenzenesulfonyl)piperidin-2-yl]methanol

[1-(4-methylbenzenesulfonyl)piperidin-2-yl]methanol

CAS: 259874-95-8

Formula: C13H19NO3S

SMILES: CC1=CC=C(C=C1)S(=O)(=O)N1CCCCC1CO

IUPAC: [1-(4-methylbenzenesulfonyl)piperidin-2-yl]methanol

InChI: InChI=1/C13H19NO3S/c1-11-5-7-13(8-6-11)18(16,17)14-9-3-2-4-12(14)10-15/h5-8,12,15H,2-4,9-10H2,1H3

Composition: C (57.97%), H (7.11%), N (5.20%), O (17.82%), S (11.90%)

Molar Mass: 269.36

Atom Count: 37

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	269.10856465
Formal Charge	0
FSP3	0.54
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	NYMSIVGSVMZGRH-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	71.15
Topological Polar Surface Area	57.61
Polarizability	28.32
Ring Count	2
Rotatable Bond Count	2

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