(S)-2-methyl-N-[(2S)-1,1,1-trifluoro-5-hydroxy-2-phenylpentan-2-yl]propane-2-sulfinamide

C15H22F3NO2S — CID 139193293

IUPAC(S)-2-methyl-N-[(2S)-1,1,1-trifluoro-5-hydroxy-2-phenylpentan-2-yl]propane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)N[C@@](CCCO)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C15H22F3NO2S/c1-13(2,3)22(21)19-14(10-7-11-20,15(16,17)18)12-8-5-4-6-9-12/h4-6,8-9,19-20H,7,10-11H2,1-3H3/t14-,22-/m0/s1
InChIKeyXOZLCBMVWWTAFI-FPTDNZKUSA-N
MW337.41 g/mol
LogP3.27
Rot. Bonds6

About (S)-2-methyl-N-[(2S)-1,1,1-trifluoro-5-hydroxy-2-phenylpentan-2-yl]propane-2-sulfinamide

(S)-2-methyl-N-[(2S)-1,1,1-trifluoro-5-hydroxy-2-phenylpentan-2-yl]propane-2-sulfinamide (PubChem CID 139193293) has the molecular formula C15H22F3NO2S and a molecular weight of 337.41 g/mol. Its IUPAC name is (S)-2-methyl-N-[(2S)-1,1,1-trifluoro-5-hydroxy-2-phenylpentan-2-yl]propane-2-sulfinamide.

Molecular Properties

Compound Name(S)-2-methyl-N-[(2S)-1,1,1-trifluoro-5-hydroxy-2-phenylpentan-2-yl]propane-2-sulfinamide
PubChem CID139193293
Molecular FormulaC15H22F3NO2S
Molecular Weight337.41 g/mol
Exact Mass337.13
IUPAC Name(S)-2-methyl-N-[(2S)-1,1,1-trifluoro-5-hydroxy-2-phenylpentan-2-yl]propane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)N[C@@](CCCO)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C15H22F3NO2S/c1-13(2,3)22(21)19-14(10-7-11-20,15(16,17)18)12-8-5-4-6-9-12/h4-6,8-9,19-20H,7,10-11H2,1-3H3/t14-,22-/m0/s1
InChIKeyXOZLCBMVWWTAFI-FPTDNZKUSA-N
XLogP3.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (S)-2-methyl-N-[(2S)-1,1,1-trifluoro-5-hydroxy-2-phenylpentan-2-yl]propane-2-sulfinamide with MolForge

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Related Compounds

(R)-2-methyl-N-[(2S,4R)-5,5,5-trifluoro-2-(2-fluorophenyl)-4-hydroxypentan-2-yl]propane-2-sulfinamide
CID 71663326
2-Amino-2-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 50987515
2-Amino-3,3,3-trifluoro-2-phenylpropan-1-ol
CID 75431955
(R)-N-[(1R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide
CID 134967721
(S)-2-methyl-N-[(2R,3R)-1,1,1-trifluoro-5-hydroxy-2-methyl-3-phenylpentan-2-yl]propane-2-sulfinamide
CID 139193299
(2S)-2-amino-3,3,3-trifluoro-2-phenylpropan-1-ol
CID 97300372
(R)-2-Amino-2-(3-(trifluoromethyl)phenyl)propan-1-ol
CID 51892322
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
(R)-N-[(2R)-2-(5-bromo-2-fluorophenyl)-3,3-difluoro-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide
CID 67233049
(S)-N-[(2R)-2-(5-bromo-2-fluorophenyl)-3,3-difluoro-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide
CID 67465975

Frequently Asked Questions

What is the IUPAC name of (S)-2-methyl-N-[(2S)-1,1,1-trifluoro-5-hydroxy-2-phenylpentan-2-yl]propane-2-sulfinamide?
The IUPAC name of (S)-2-methyl-N-[(2S)-1,1,1-trifluoro-5-hydroxy-2-phenylpentan-2-yl]propane-2-sulfinamide (CID 139193293) is (S)-2-methyl-N-[(2S)-1,1,1-trifluoro-5-hydroxy-2-phenylpentan-2-yl]propane-2-sulfinamide.
What is the SMILES notation for (S)-2-methyl-N-[(2S)-1,1,1-trifluoro-5-hydroxy-2-phenylpentan-2-yl]propane-2-sulfinamide?
The canonical SMILES for (S)-2-methyl-N-[(2S)-1,1,1-trifluoro-5-hydroxy-2-phenylpentan-2-yl]propane-2-sulfinamide is CC(C)(C)[S@](=O)N[C@@](CCCO)(c1ccccc1)C(F)(F)F.
What is the InChIKey of (S)-2-methyl-N-[(2S)-1,1,1-trifluoro-5-hydroxy-2-phenylpentan-2-yl]propane-2-sulfinamide?
The InChIKey is XOZLCBMVWWTAFI-FPTDNZKUSA-N. The full InChI is InChI=1S/C15H22F3NO2S/c1-13(2,3)22(21)19-14(10-7-11-20,15(16,17)18)12-8-5-4-6-9-12/h4-6,8-9,19-20H,7,10-11H2,1-3H3/t14-,22-/m0/s1.
What are the key properties of (S)-2-methyl-N-[(2S)-1,1,1-trifluoro-5-hydroxy-2-phenylpentan-2-yl]propane-2-sulfinamide?
(S)-2-methyl-N-[(2S)-1,1,1-trifluoro-5-hydroxy-2-phenylpentan-2-yl]propane-2-sulfinamide has a molecular weight of 337.41 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-2-methyl-N-[(2S)-1,1,1-trifluoro-5-hydroxy-2-phenylpentan-2-yl]propane-2-sulfinamide is sourced from PubChem (CID 139193293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).