3-hydroxy-4-{[(pyridin-3-yl)methyl]amino}-1??-thiolane-1,1-dione

3-hydroxy-4-{[(pyridin-3-yl)methyl]amino}-1??-thiolane-1,1-dione

CAS: 453577-52-1

Formula: C10H14N2O3S

SMILES: OC1CS(=O)(=O)CC1NCC1=CC=CN=C1

IUPAC: 3-hydroxy-4-{[(pyridin-3-yl)methyl]amino}-1??-thiolane-1,1-dione

InChI: InChI=1/C10H14N2O3S/c13-10-7-16(14,15)6-9(10)12-5-8-2-1-3-11-4-8/h1-4,9-10,12-13H,5-7H2

Composition: C (49.57%), H (5.82%), N (11.56%), O (19.81%), S (13.23%)

Molar Mass: 242.29

Atom Count: 30

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	242.072513493
Formal Charge	0
FSP3	0.5
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	HNCRLYXMUJVCNN-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.38
Topological Polar Surface Area	79.29
Polarizability	24.27
Ring Count	2
Rotatable Bond Count	3

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