(R)-N-[(1R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide

C13H18F3NO2S — CID 134967721

IUPAC(R)-N-[(1R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@@H](CO)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H18F3NO2S/c1-12(2,3)20(19)17-11(8-18)9-4-6-10(7-5-9)13(14,15)16/h4-7,11,17-18H,8H2,1-3H3/t11-,20+/m0/s1
InChIKeyKRLGIJIURWEEQL-PRWKNARSSA-N
MW309.35 g/mol
LogP2.79
Rot. Bonds4

About (R)-N-[(1R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide

(R)-N-[(1R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 134967721) has the molecular formula C13H18F3NO2S and a molecular weight of 309.35 g/mol. Its IUPAC name is (R)-N-[(1R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide
PubChem CID134967721
Molecular FormulaC13H18F3NO2S
Molecular Weight309.35 g/mol
Exact Mass309.10
IUPAC Name(R)-N-[(1R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@@H](CO)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H18F3NO2S/c1-12(2,3)20(19)17-11(8-18)9-4-6-10(7-5-9)13(14,15)16/h4-7,11,17-18H,8H2,1-3H3/t11-,20+/m0/s1
InChIKeyKRLGIJIURWEEQL-PRWKNARSSA-N
XLogP2.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Amino-2-(4-tert-butylphenyl)ethan-1-ol
CID 14853163
beta-Amino-2,4-difluoro-benzeneethanol
CID 14853269
(2S)-2-Amino-2-(4-tert-butylphenyl)ethan-1-ol
CID 16218166
beta-Amino-4-(1-methylethyl)benzeneethanol
CID 17389826
2-Amino-2-[4-(trifluoromethyl)phenyl]ethan-1-ol hydrochloride
CID 69163306
2-Amino-2-(3-(trifluoromethyl)phenyl)ethan-1-ol hydrochloride
CID 69186562
(2S)-2-amino-2-[3-(trifluoromethyl)phenyl]ethan-1-ol hydrochloride
CID 74889970
(R)-2-Amino-2-(4-(trifluoromethyl)phenyl)ethanol
CID 10512424
2-Amino-2-(4-(trifluoromethyl)phenyl)ethanol
CID 14853203
b-Amino-3-(trifluoromethyl)benzeneethanol
CID 54775902
(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-(2,6-difluorophenyl)ethanol
CID 54593627

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide (CID 134967721) is (R)-N-[(1R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)N[C@@H](CO)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (R)-N-[(1R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is KRLGIJIURWEEQL-PRWKNARSSA-N. The full InChI is InChI=1S/C13H18F3NO2S/c1-12(2,3)20(19)17-11(8-18)9-4-6-10(7-5-9)13(14,15)16/h4-7,11,17-18H,8H2,1-3H3/t11-,20+/m0/s1.
What are the key properties of (R)-N-[(1R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 309.35 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 134967721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).