(2S,5R)-5-ethylsulfonyl-2-(fluoromethyl)-2-(2-fluorophenyl)-5-methyl-3,4-dihydropyridin-6-amine

C15H20F2N2O2S — CID 159467217

IUPAC(2S,5R)-5-ethylsulfonyl-2-(fluoromethyl)-2-(2-fluorophenyl)-5-methyl-3,4-dihydropyridin-6-amine
SMILESCCS(=O)(=O)[C@]1(C)CC[C@@](CF)(c2ccccc2F)N=C1N
InChIInChI=1S/C15H20F2N2O2S/c1-3-22(20,21)14(2)8-9-15(10-16,19-13(14)18)11-6-4-5-7-12(11)17/h4-7H,3,8-10H2,1-2H3,(H2,18,19)/t14-,15-/m1/s1
InChIKeyLVINDSVLMITBMG-HUUCEWRRSA-N
MW330.40 g/mol
LogP2.33
Rot. Bonds4

About (2S,5R)-5-ethylsulfonyl-2-(fluoromethyl)-2-(2-fluorophenyl)-5-methyl-3,4-dihydropyridin-6-amine

(2S,5R)-5-ethylsulfonyl-2-(fluoromethyl)-2-(2-fluorophenyl)-5-methyl-3,4-dihydropyridin-6-amine (PubChem CID 159467217) has the molecular formula C15H20F2N2O2S and a molecular weight of 330.40 g/mol. Its IUPAC name is (2S,5R)-5-ethylsulfonyl-2-(fluoromethyl)-2-(2-fluorophenyl)-5-methyl-3,4-dihydropyridin-6-amine.

Molecular Properties

Compound Name(2S,5R)-5-ethylsulfonyl-2-(fluoromethyl)-2-(2-fluorophenyl)-5-methyl-3,4-dihydropyridin-6-amine
PubChem CID159467217
Molecular FormulaC15H20F2N2O2S
Molecular Weight330.40 g/mol
Exact Mass330.12
IUPAC Name(2S,5R)-5-ethylsulfonyl-2-(fluoromethyl)-2-(2-fluorophenyl)-5-methyl-3,4-dihydropyridin-6-amine
SMILESCCS(=O)(=O)[C@]1(C)CC[C@@](CF)(c2ccccc2F)N=C1N
InChIInChI=1S/C15H20F2N2O2S/c1-3-22(20,21)14(2)8-9-15(10-16,19-13(14)18)11-6-4-5-7-12(11)17/h4-7H,3,8-10H2,1-2H3,(H2,18,19)/t14-,15-/m1/s1
InChIKeyLVINDSVLMITBMG-HUUCEWRRSA-N
XLogP2.33
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-ethylsulfonyl-2-(fluoromethyl)-2-(2-fluorophenyl)-5-methyl-3,4-dihydropyridin-6-amine?
The IUPAC name of (2S,5R)-5-ethylsulfonyl-2-(fluoromethyl)-2-(2-fluorophenyl)-5-methyl-3,4-dihydropyridin-6-amine (CID 159467217) is (2S,5R)-5-ethylsulfonyl-2-(fluoromethyl)-2-(2-fluorophenyl)-5-methyl-3,4-dihydropyridin-6-amine.
What is the SMILES notation for (2S,5R)-5-ethylsulfonyl-2-(fluoromethyl)-2-(2-fluorophenyl)-5-methyl-3,4-dihydropyridin-6-amine?
The canonical SMILES for (2S,5R)-5-ethylsulfonyl-2-(fluoromethyl)-2-(2-fluorophenyl)-5-methyl-3,4-dihydropyridin-6-amine is CCS(=O)(=O)[C@]1(C)CC[C@@](CF)(c2ccccc2F)N=C1N.
What is the InChIKey of (2S,5R)-5-ethylsulfonyl-2-(fluoromethyl)-2-(2-fluorophenyl)-5-methyl-3,4-dihydropyridin-6-amine?
The InChIKey is LVINDSVLMITBMG-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H20F2N2O2S/c1-3-22(20,21)14(2)8-9-15(10-16,19-13(14)18)11-6-4-5-7-12(11)17/h4-7H,3,8-10H2,1-2H3,(H2,18,19)/t14-,15-/m1/s1.
What are the key properties of (2S,5R)-5-ethylsulfonyl-2-(fluoromethyl)-2-(2-fluorophenyl)-5-methyl-3,4-dihydropyridin-6-amine?
(2S,5R)-5-ethylsulfonyl-2-(fluoromethyl)-2-(2-fluorophenyl)-5-methyl-3,4-dihydropyridin-6-amine has a molecular weight of 330.40 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-ethylsulfonyl-2-(fluoromethyl)-2-(2-fluorophenyl)-5-methyl-3,4-dihydropyridin-6-amine is sourced from PubChem (CID 159467217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).