5-[(4-aminopiperidin-1-yl)methyl]thiophene-2-carboxylic acid

5-[(4-aminopiperidin-1-yl)methyl]thiophene-2-carboxylic acid

CAS: 1174863-10-5

Formula: C11H16N2O2S

SMILES: NC1CCN(CC2=CC=C(S2)C(O)=O)CC1

IUPAC: 5-[(4-aminopiperidin-1-yl)methyl]thiophene-2-carboxylic acid

InChI: InChI=1S/C11H16N2O2S/c12-8-3-5-13(6-4-8)7-9-1-2-10(16-9)11(14)15/h1-2,8H,3-7,12H2,(H,14,15)

Composition: C (54.98%), H (6.71%), N (11.66%), O (13.31%), S (13.34%)

Molar Mass: 240.32

Atom Count: 32

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	240.093248937
Formal Charge	0
FSP3	0.55
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	LVXSEIBCLKHCNS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.91
Topological Polar Surface Area	66.56
Polarizability	24.72
Ring Count	2
Rotatable Bond Count	3

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