(R)-2-methyl-N-[(2S,4R)-5,5,5-trifluoro-2-(2-fluorophenyl)-4-hydroxypentan-2-yl]propane-2-sulfinamide

C15H21F4NO2S — CID 71663326

IUPAC(R)-2-methyl-N-[(2S,4R)-5,5,5-trifluoro-2-(2-fluorophenyl)-4-hydroxypentan-2-yl]propane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@@](C)(C[C@@H](O)C(F)(F)F)c1ccccc1F
InChIInChI=1S/C15H21F4NO2S/c1-13(2,3)23(22)20-14(4,9-12(21)15(17,18)19)10-7-5-6-8-11(10)16/h5-8,12,20-21H,9H2,1-4H3/t12-,14+,23-/m1/s1
InChIKeyUTNRHGFHFAUGAC-VFDKELDYSA-N
MW355.40 g/mol
LogP3.41
Rot. Bonds5

About (R)-2-methyl-N-[(2S,4R)-5,5,5-trifluoro-2-(2-fluorophenyl)-4-hydroxypentan-2-yl]propane-2-sulfinamide

(R)-2-methyl-N-[(2S,4R)-5,5,5-trifluoro-2-(2-fluorophenyl)-4-hydroxypentan-2-yl]propane-2-sulfinamide (PubChem CID 71663326) has the molecular formula C15H21F4NO2S and a molecular weight of 355.40 g/mol. Its IUPAC name is (R)-2-methyl-N-[(2S,4R)-5,5,5-trifluoro-2-(2-fluorophenyl)-4-hydroxypentan-2-yl]propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-[(2S,4R)-5,5,5-trifluoro-2-(2-fluorophenyl)-4-hydroxypentan-2-yl]propane-2-sulfinamide
PubChem CID71663326
Molecular FormulaC15H21F4NO2S
Molecular Weight355.40 g/mol
Exact Mass355.12
IUPAC Name(R)-2-methyl-N-[(2S,4R)-5,5,5-trifluoro-2-(2-fluorophenyl)-4-hydroxypentan-2-yl]propane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@@](C)(C[C@@H](O)C(F)(F)F)c1ccccc1F
InChIInChI=1S/C15H21F4NO2S/c1-13(2,3)23(22)20-14(4,9-12(21)15(17,18)19)10-7-5-6-8-11(10)16/h5-8,12,20-21H,9H2,1-4H3/t12-,14+,23-/m1/s1
InChIKeyUTNRHGFHFAUGAC-VFDKELDYSA-N
XLogP3.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,4S)-4-amino-1,1,1-trifluoro-4-(2-fluorophenyl)pentan-2-ol
CID 71663328
(R)-N-[(1R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide
CID 134967721
(R)-N-[(1S,2R)-1-(4-fluorophenyl)-2-hydroxy-3-methylbutyl]-2-methylpropane-2-sulfinamide
CID 135000448
(S)-2-methyl-N-[(2S)-1,1,1-trifluoro-5-hydroxy-2-phenylpentan-2-yl]propane-2-sulfinamide
CID 139193293
(S)-2-methyl-N-[(2R,3R)-1,1,1-trifluoro-5-hydroxy-2-methyl-3-phenylpentan-2-yl]propane-2-sulfinamide
CID 139193299
4-Amino-1,7-difluoro-4-phenylheptane-2,6-diol
CID 21619246
N-[(2R)-2-(5-bromo-2-fluorophenyl)-3,3-difluoro-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide
CID 58304246
3-Amino-4,4,4-trifluoro-3-(3-methylphenyl)butan-1-ol
CID 58377033
3-Amino-3-(2-fluorophenyl)butan-1-ol
CID 65240017
N-[(2S)-2-(3-bromo-4-fluorophenyl)-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide
CID 67025462
N-[(2S,4R)-2-(3-bromo-4-fluorophenyl)-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide
CID 67025463
(R)-N-[(2S)-2-(3-bromo-4-fluorophenyl)-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide
CID 67025464

Frequently Asked Questions

What is the IUPAC name of (R)-2-methyl-N-[(2S,4R)-5,5,5-trifluoro-2-(2-fluorophenyl)-4-hydroxypentan-2-yl]propane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-[(2S,4R)-5,5,5-trifluoro-2-(2-fluorophenyl)-4-hydroxypentan-2-yl]propane-2-sulfinamide (CID 71663326) is (R)-2-methyl-N-[(2S,4R)-5,5,5-trifluoro-2-(2-fluorophenyl)-4-hydroxypentan-2-yl]propane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-[(2S,4R)-5,5,5-trifluoro-2-(2-fluorophenyl)-4-hydroxypentan-2-yl]propane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-[(2S,4R)-5,5,5-trifluoro-2-(2-fluorophenyl)-4-hydroxypentan-2-yl]propane-2-sulfinamide is CC(C)(C)[S@@](=O)N[C@@](C)(C[C@@H](O)C(F)(F)F)c1ccccc1F.
What is the InChIKey of (R)-2-methyl-N-[(2S,4R)-5,5,5-trifluoro-2-(2-fluorophenyl)-4-hydroxypentan-2-yl]propane-2-sulfinamide?
The InChIKey is UTNRHGFHFAUGAC-VFDKELDYSA-N. The full InChI is InChI=1S/C15H21F4NO2S/c1-13(2,3)23(22)20-14(4,9-12(21)15(17,18)19)10-7-5-6-8-11(10)16/h5-8,12,20-21H,9H2,1-4H3/t12-,14+,23-/m1/s1.
What are the key properties of (R)-2-methyl-N-[(2S,4R)-5,5,5-trifluoro-2-(2-fluorophenyl)-4-hydroxypentan-2-yl]propane-2-sulfinamide?
(R)-2-methyl-N-[(2S,4R)-5,5,5-trifluoro-2-(2-fluorophenyl)-4-hydroxypentan-2-yl]propane-2-sulfinamide has a molecular weight of 355.40 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-methyl-N-[(2S,4R)-5,5,5-trifluoro-2-(2-fluorophenyl)-4-hydroxypentan-2-yl]propane-2-sulfinamide is sourced from PubChem (CID 71663326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).