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

C13H18F3NOS — CID 161379144

IUPAC(R)-2-methyl-N-[(1S)-2,2,2-trifluoro-1-(4-methylphenyl)ethyl]propane-2-sulfinamide
SMILESCc1ccc([C@H](N[S@](=O)C(C)(C)C)C(F)(F)F)cc1
InChIInChI=1S/C13H18F3NOS/c1-9-5-7-10(8-6-9)11(13(14,15)16)17-19(18)12(2,3)4/h5-8,11,17H,1-4H3/t11-,19+/m0/s1
InChIKeyVRMGWWJKMRCVMO-JEOXALJRSA-N
MW293.35 g/mol
LogP3.65
Rot. Bonds3

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

(R)-2-methyl-N-[(1S)-2,2,2-trifluoro-1-(4-methylphenyl)ethyl]propane-2-sulfinamide (PubChem CID 161379144) has the molecular formula C13H18F3NOS and a molecular weight of 293.35 g/mol. Its IUPAC name is (R)-2-methyl-N-[(1S)-2,2,2-trifluoro-1-(4-methylphenyl)ethyl]propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-[(1S)-2,2,2-trifluoro-1-(4-methylphenyl)ethyl]propane-2-sulfinamide
PubChem CID161379144
Molecular FormulaC13H18F3NOS
Molecular Weight293.35 g/mol
Exact Mass293.11
IUPAC Name(R)-2-methyl-N-[(1S)-2,2,2-trifluoro-1-(4-methylphenyl)ethyl]propane-2-sulfinamide
SMILESCc1ccc([C@H](N[S@](=O)C(C)(C)C)C(F)(F)F)cc1
InChIInChI=1S/C13H18F3NOS/c1-9-5-7-10(8-6-9)11(13(14,15)16)17-19(18)12(2,3)4/h5-8,11,17H,1-4H3/t11-,19+/m0/s1
InChIKeyVRMGWWJKMRCVMO-JEOXALJRSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (R)-2-methyl-N-[(1S)-2,2,2-trifluoro-1-(4-methylphenyl)ethyl]propane-2-sulfinamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (R)-2-methyl-N-[(1S)-2,2,2-trifluoro-1-(4-methylphenyl)ethyl]propane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-[(1S)-2,2,2-trifluoro-1-(4-methylphenyl)ethyl]propane-2-sulfinamide (CID 161379144) is (R)-2-methyl-N-[(1S)-2,2,2-trifluoro-1-(4-methylphenyl)ethyl]propane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-[(1S)-2,2,2-trifluoro-1-(4-methylphenyl)ethyl]propane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-[(1S)-2,2,2-trifluoro-1-(4-methylphenyl)ethyl]propane-2-sulfinamide is Cc1ccc([C@H](N[S@](=O)C(C)(C)C)C(F)(F)F)cc1.
What is the InChIKey of (R)-2-methyl-N-[(1S)-2,2,2-trifluoro-1-(4-methylphenyl)ethyl]propane-2-sulfinamide?
The InChIKey is VRMGWWJKMRCVMO-JEOXALJRSA-N. The full InChI is InChI=1S/C13H18F3NOS/c1-9-5-7-10(8-6-9)11(13(14,15)16)17-19(18)12(2,3)4/h5-8,11,17H,1-4H3/t11-,19+/m0/s1.
What are the key properties of (R)-2-methyl-N-[(1S)-2,2,2-trifluoro-1-(4-methylphenyl)ethyl]propane-2-sulfinamide?
(R)-2-methyl-N-[(1S)-2,2,2-trifluoro-1-(4-methylphenyl)ethyl]propane-2-sulfinamide has a molecular weight of 293.35 g/mol, XLogP of 3.65, 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-methylphenyl)ethyl]propane-2-sulfinamide is sourced from PubChem (CID 161379144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).