(1R,2R)-1-Amino-2-(difluoromethyl)-N-(1-methylcyclopropylsulfonyl)cyclopropanecarboxamide hydrochloride

C₉H₁₅ClF₂N₂O₃SCAS 1360828-80-3304.74 g/mol

Open in Covalent MOL file

Alkyl halide Amide Primary amine Sulfonamide

Properties

Molecular formula: C₉H₁₅ClF₂N₂O₃S
Molar mass: 304.74 g/mol
Exact mass: 304.0460 Da
logP: 0.39Crippen estimate
Polar surface area: 89.3 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 4
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

1360828-80-3

SMILES

CC1(CC1)S(=O)(=O)NC(=O)[C@]2(CC2C(F)F)N.Cl

InChIKey

UZYZCUJUQSFVGK-KXTVEGCXSA-N

InChI

InChI=1S/C9H14F2N2O3S.ClH/c1-8(2-3-8)17(15,16)13-7(14)9(12)4-5(9)6(10)11;/h5-6H,2-4,12H2,1H3,(H,13,14);1H/t5?,9-;/m1./s1

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Work with (1R,2R)-1-Amino-2-(difluoromethyl)-N-(1-methylcyclopropylsulfonyl)cyclopropanecarboxamide hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Elsewhere

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