1-methanesulfonylpiperidine-3-carboxylic acid

1-methanesulfonylpiperidine-3-carboxylic acid

CAS: 702670-29-9

Formula: C7H13NO4S

SMILES: CS(=O)(=O)N1CCCC(C1)C(O)=O

IUPAC: 1-methanesulfonylpiperidine-3-carboxylic acid

InChI: InChI=1/C7H13NO4S/c1-13(11,12)8-4-2-3-6(5-8)7(9)10/h6H,2-5H2,1H3,(H,9,10)

Composition: C (40.57%), H (6.32%), N (6.76%), O (30.88%), S (15.47%)

Molar Mass: 207.24

Atom Count: 26

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	207.056529077
Formal Charge	0
FSP3	0.86
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	JYNPFTCJJVIWTD-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.09
Topological Polar Surface Area	74.68
Polarizability	18.89
Ring Count	1
Rotatable Bond Count	1

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