(R)-2-methyl-N-[(2S)-1,3,3-trifluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]propane-2-sulfinamide

C14H19F4NO2S — CID 71112759

IUPAC(R)-2-methyl-N-[(2S)-1,3,3-trifluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]propane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@](CF)(c1ccccc1F)C(F)(F)CO
InChIInChI=1S/C14H19F4NO2S/c1-12(2,3)22(21)19-13(8-15,14(17,18)9-20)10-6-4-5-7-11(10)16/h4-7,19-20H,8-9H2,1-3H3/t13-,22-/m1/s1
InChIKeyFZYBKPLSKJQLBP-MCMMXHMISA-N
MW341.37 g/mol
LogP2.67
Rot. Bonds6

About (R)-2-methyl-N-[(2S)-1,3,3-trifluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]propane-2-sulfinamide

(R)-2-methyl-N-[(2S)-1,3,3-trifluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]propane-2-sulfinamide (PubChem CID 71112759) has the molecular formula C14H19F4NO2S and a molecular weight of 341.37 g/mol. Its IUPAC name is (R)-2-methyl-N-[(2S)-1,3,3-trifluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-[(2S)-1,3,3-trifluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]propane-2-sulfinamide
PubChem CID71112759
Molecular FormulaC14H19F4NO2S
Molecular Weight341.37 g/mol
Exact Mass341.11
IUPAC Name(R)-2-methyl-N-[(2S)-1,3,3-trifluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]propane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@](CF)(c1ccccc1F)C(F)(F)CO
InChIInChI=1S/C14H19F4NO2S/c1-12(2,3)22(21)19-13(8-15,14(17,18)9-20)10-6-4-5-7-11(10)16/h4-7,19-20H,8-9H2,1-3H3/t13-,22-/m1/s1
InChIKeyFZYBKPLSKJQLBP-MCMMXHMISA-N
XLogP2.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (R)-2-methyl-N-[(2S)-1,3,3-trifluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]propane-2-sulfinamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(R)-2-methyl-N-[(2S,4R)-5,5,5-trifluoro-2-(2-fluorophenyl)-4-hydroxypentan-2-yl]propane-2-sulfinamide
CID 71663326
(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
2-Amino-2-(3,4-difluorophenyl)propan-1-ol
CID 22993475
N-(3-(4-fluorophenyl)oxetan-3-yl)-2-methylpropane-2-sulfinamide
CID 53483243
(S)-2-Amino-2-(2,4-difluorophenyl)propan-1-ol
CID 55277285
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

Frequently Asked Questions

What is the IUPAC name of (R)-2-methyl-N-[(2S)-1,3,3-trifluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]propane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-[(2S)-1,3,3-trifluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]propane-2-sulfinamide (CID 71112759) is (R)-2-methyl-N-[(2S)-1,3,3-trifluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]propane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-[(2S)-1,3,3-trifluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]propane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-[(2S)-1,3,3-trifluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]propane-2-sulfinamide is CC(C)(C)[S@@](=O)N[C@](CF)(c1ccccc1F)C(F)(F)CO.
What is the InChIKey of (R)-2-methyl-N-[(2S)-1,3,3-trifluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]propane-2-sulfinamide?
The InChIKey is FZYBKPLSKJQLBP-MCMMXHMISA-N. The full InChI is InChI=1S/C14H19F4NO2S/c1-12(2,3)22(21)19-13(8-15,14(17,18)9-20)10-6-4-5-7-11(10)16/h4-7,19-20H,8-9H2,1-3H3/t13-,22-/m1/s1.
What are the key properties of (R)-2-methyl-N-[(2S)-1,3,3-trifluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]propane-2-sulfinamide?
(R)-2-methyl-N-[(2S)-1,3,3-trifluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]propane-2-sulfinamide has a molecular weight of 341.37 g/mol, XLogP of 2.67, 6 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)-1,3,3-trifluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]propane-2-sulfinamide is sourced from PubChem (CID 71112759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).