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

C12H15F4NOS — CID 156875474

IUPAC(R)-2-methyl-N-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@@H](c1ccc(F)cc1)C(F)(F)F
InChIInChI=1S/C12H15F4NOS/c1-11(2,3)19(18)17-10(12(14,15)16)8-4-6-9(13)7-5-8/h4-7,10,17H,1-3H3/t10-,19+/m0/s1
InChIKeyLQSYPZRAACYUKG-APBUJDDRSA-N
MW297.32 g/mol
LogP3.48
Rot. Bonds3

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

(R)-2-methyl-N-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propane-2-sulfinamide (PubChem CID 156875474) has the molecular formula C12H15F4NOS and a molecular weight of 297.32 g/mol. Its IUPAC name is (R)-2-methyl-N-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propane-2-sulfinamide
PubChem CID156875474
Molecular FormulaC12H15F4NOS
Molecular Weight297.32 g/mol
Exact Mass297.08
IUPAC Name(R)-2-methyl-N-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@@H](c1ccc(F)cc1)C(F)(F)F
InChIInChI=1S/C12H15F4NOS/c1-11(2,3)19(18)17-10(12(14,15)16)8-4-6-9(13)7-5-8/h4-7,10,17H,1-3H3/t10-,19+/m0/s1
InChIKeyLQSYPZRAACYUKG-APBUJDDRSA-N
XLogP3.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N-[(1S)-2,2,2-trifluoro-1-(4-methylphenyl)ethyl]propane-2-sulfinamide
CID 102258355
(R)-2-methyl-N-[(1S)-2,2,2-trifluoro-1-(4-methylphenyl)ethyl]propane-2-sulfinamide
CID 161379144
(R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 118230707
tert-butyl 4-[(1R)-1-(tert-butylsulfinylamino)-2,2,2-trifluoroethyl]benzoate
CID 67395689
(S)-2-methyl-N-[(1R)-2,2,2-trifluoro-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]propane-2-sulfinamide
CID 142754376
2-methyl-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]propane-2-sulfinamide
CID 134988458
(R)-N-[(1S)-1-(6-chloro-5-fluoro-3-pyridinyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
CID 176945435
2-methyl-N-[(1S)-2,2,2-trifluoro-1-(2-methylphenyl)ethyl]propane-2-sulfinamide
CID 58570968
N-[(1R)-1-(4-fluorophenyl)but-3-enyl]-2-methylpropane-2-sulfinamide
CID 101416892
(R)-N-[(1S)-1-(4-bromo-2-fluorophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
CID 176572846
(S)-N-[(3,3-difluorocyclobutyl)-(4-fluorophenyl)methyl]-2-methylpropane-2-sulfinamide
CID 170945428
N-(2,2-difluoro-3-hydroxy-1-phenylpropyl)-2-methylpropane-2-sulfinamide
CID 121314661

Frequently Asked Questions

What is the IUPAC name of (R)-2-methyl-N-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propane-2-sulfinamide (CID 156875474) is (R)-2-methyl-N-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propane-2-sulfinamide is CC(C)(C)[S@@](=O)N[C@@H](c1ccc(F)cc1)C(F)(F)F.
What is the InChIKey of (R)-2-methyl-N-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propane-2-sulfinamide?
The InChIKey is LQSYPZRAACYUKG-APBUJDDRSA-N. The full InChI is InChI=1S/C12H15F4NOS/c1-11(2,3)19(18)17-10(12(14,15)16)8-4-6-9(13)7-5-8/h4-7,10,17H,1-3H3/t10-,19+/m0/s1.
What are the key properties of (R)-2-methyl-N-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propane-2-sulfinamide?
(R)-2-methyl-N-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propane-2-sulfinamide has a molecular weight of 297.32 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-methyl-N-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propane-2-sulfinamide is sourced from PubChem (CID 156875474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).