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

C13H18F3NOS — CID 134967731

IUPAC(S)-2-methyl-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]propane-2-sulfinamide
SMILESC[C@H](N[S@@](=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-/m0/s1
InChIKeyZZQUNIDNYICIDP-UGZDLDLSSA-N
MW293.35 g/mol
LogP3.82
Rot. Bonds3

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

(S)-2-methyl-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]propane-2-sulfinamide (PubChem CID 134967731) has the molecular formula C13H18F3NOS and a molecular weight of 293.35 g/mol. Its IUPAC name is (S)-2-methyl-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]propane-2-sulfinamide.

Molecular Properties

Compound Name(S)-2-methyl-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]propane-2-sulfinamide
PubChem CID134967731
Molecular FormulaC13H18F3NOS
Molecular Weight293.35 g/mol
Exact Mass293.11
IUPAC Name(S)-2-methyl-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]propane-2-sulfinamide
SMILESC[C@H](N[S@@](=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-/m0/s1
InChIKeyZZQUNIDNYICIDP-UGZDLDLSSA-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 (S)-2-methyl-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]propane-2-sulfinamide?
The IUPAC name of (S)-2-methyl-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]propane-2-sulfinamide (CID 134967731) is (S)-2-methyl-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]propane-2-sulfinamide.
What is the SMILES notation for (S)-2-methyl-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]propane-2-sulfinamide?
The canonical SMILES for (S)-2-methyl-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]propane-2-sulfinamide is C[C@H](N[S@@](=O)C(C)(C)C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (S)-2-methyl-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]propane-2-sulfinamide?
The InChIKey is ZZQUNIDNYICIDP-UGZDLDLSSA-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-/m0/s1.
What are the key properties of (S)-2-methyl-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]propane-2-sulfinamide?
(S)-2-methyl-N-[(1S)-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 (S)-2-methyl-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]propane-2-sulfinamide is sourced from PubChem (CID 134967731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).