2-methyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]propane-2-sulfinamide

C13H18F3NOS — CID 122212697

IUPAC2-methyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]propane-2-sulfinamide
SMILESC[C@@H](NS(=O)C(C)(C)C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H18F3NOS/c1-9(17-19(18)12(2,3)4)10-5-7-11(8-6-10)13(14,15)16/h5-9,17H,1-4H3/t9-,19?/m1/s1
InChIKeyZZQUNIDNYICIDP-HSLMEMBISA-N
MW293.35 g/mol
LogP3.82
Rot. Bonds3

About 2-methyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]propane-2-sulfinamide

2-methyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]propane-2-sulfinamide (PubChem CID 122212697) has the molecular formula C13H18F3NOS and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-methyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]propane-2-sulfinamide
PubChem CID122212697
Molecular FormulaC13H18F3NOS
Molecular Weight293.35 g/mol
Exact Mass293.11
IUPAC Name2-methyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]propane-2-sulfinamide
SMILESC[C@@H](NS(=O)C(C)(C)C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H18F3NOS/c1-9(17-19(18)12(2,3)4)10-5-7-11(8-6-10)13(14,15)16/h5-9,17H,1-4H3/t9-,19?/m1/s1
InChIKeyZZQUNIDNYICIDP-HSLMEMBISA-N
XLogP3.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]propane-2-sulfinamide (CID 122212697) is 2-methyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]propane-2-sulfinamide is C[C@@H](NS(=O)C(C)(C)C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-methyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]propane-2-sulfinamide?
The InChIKey is ZZQUNIDNYICIDP-HSLMEMBISA-N. The full InChI is InChI=1S/C13H18F3NOS/c1-9(17-19(18)12(2,3)4)10-5-7-11(8-6-10)13(14,15)16/h5-9,17H,1-4H3/t9-,19?/m1/s1.
What are the key properties of 2-methyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]propane-2-sulfinamide?
2-methyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]propane-2-sulfinamide has a molecular weight of 293.35 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]propane-2-sulfinamide is sourced from PubChem (CID 122212697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).