(R)-2-methyl-N-[(1S)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]propane-2-sulfinamide

C11H16F3N3OS — CID 121397426

IUPAC(R)-2-methyl-N-[(1S)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]propane-2-sulfinamide
SMILESC[C@H](N[S@](=O)C(C)(C)C)c1cnc(C(F)(F)F)nc1
InChIInChI=1S/C11H16F3N3OS/c1-7(17-19(18)10(2,3)4)8-5-15-9(16-6-8)11(12,13)14/h5-7,17H,1-4H3/t7-,19+/m0/s1
InChIKeyUCIRJFZSOBBXDU-ZDVLTJLQSA-N
MW295.33 g/mol
LogP2.61
Rot. Bonds3

About (R)-2-methyl-N-[(1S)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]propane-2-sulfinamide

(R)-2-methyl-N-[(1S)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]propane-2-sulfinamide (PubChem CID 121397426) has the molecular formula C11H16F3N3OS and a molecular weight of 295.33 g/mol. Its IUPAC name is (R)-2-methyl-N-[(1S)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-[(1S)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]propane-2-sulfinamide
PubChem CID121397426
Molecular FormulaC11H16F3N3OS
Molecular Weight295.33 g/mol
Exact Mass295.10
IUPAC Name(R)-2-methyl-N-[(1S)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]propane-2-sulfinamide
SMILESC[C@H](N[S@](=O)C(C)(C)C)c1cnc(C(F)(F)F)nc1
InChIInChI=1S/C11H16F3N3OS/c1-7(17-19(18)10(2,3)4)8-5-15-9(16-6-8)11(12,13)14/h5-7,17H,1-4H3/t7-,19+/m0/s1
InChIKeyUCIRJFZSOBBXDU-ZDVLTJLQSA-N
XLogP2.61
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (R)-2-methyl-N-[(1S)-1-[2-(trifluoromethyl)pyrimidin-5-yl]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

Related Compounds

(R)-N-[(1S)-1-[5-chloro-6-(1,1-difluoroethyl)-3-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide;sulfane
CID 158673447
(S)-2-methyl-N-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]propane-2-sulfinamide
CID 134237967
2-methyl-N-[(1R)-1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]propane-2-sulfinamide
CID 134229696
(R)-N-[(1S)-1-(6-tert-butyl-3-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide;sulfane
CID 159800437
(R)-N-[1-[6-(2,2-difluoropropoxy)-3-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide
CID 67509758
2-methyl-N-[1-[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]ethyl]propane-2-sulfinamide
CID 87426537
(R)-2-methyl-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]propane-2-sulfinamide
CID 67509888
N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
CID 68561497
(S)-2-methyl-N-[(1S)-1-(6-propan-2-yloxy-3-pyridinyl)ethyl]propane-2-sulfinamide
CID 156777027
(S)-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 86732639
(R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 118230707
(R)-2-methyl-N-(1-quinolin-3-ylethyl)propane-2-sulfinamide
CID 170836453

Frequently Asked Questions

What is the IUPAC name of (R)-2-methyl-N-[(1S)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]propane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-[(1S)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]propane-2-sulfinamide (CID 121397426) is (R)-2-methyl-N-[(1S)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]propane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-[(1S)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]propane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-[(1S)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]propane-2-sulfinamide is C[C@H](N[S@](=O)C(C)(C)C)c1cnc(C(F)(F)F)nc1.
What is the InChIKey of (R)-2-methyl-N-[(1S)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]propane-2-sulfinamide?
The InChIKey is UCIRJFZSOBBXDU-ZDVLTJLQSA-N. The full InChI is InChI=1S/C11H16F3N3OS/c1-7(17-19(18)10(2,3)4)8-5-15-9(16-6-8)11(12,13)14/h5-7,17H,1-4H3/t7-,19+/m0/s1.
What are the key properties of (R)-2-methyl-N-[(1S)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]propane-2-sulfinamide?
(R)-2-methyl-N-[(1S)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]propane-2-sulfinamide has a molecular weight of 295.33 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-methyl-N-[(1S)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]propane-2-sulfinamide is sourced from PubChem (CID 121397426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).