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

C11H16F3N3OS — CID 66661445

IUPAC2-methyl-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]propane-2-sulfinamide
SMILESC[C@@H](NS(=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?/m1/s1
InChIKeyUCIRJFZSOBBXDU-ZZYURMEMSA-N
MW295.33 g/mol
LogP2.61
Rot. Bonds3

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

2-methyl-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]propane-2-sulfinamide (PubChem CID 66661445) has the molecular formula C11H16F3N3OS and a molecular weight of 295.33 g/mol. Its IUPAC name is 2-methyl-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]propane-2-sulfinamide
PubChem CID66661445
Molecular FormulaC11H16F3N3OS
Molecular Weight295.33 g/mol
Exact Mass295.10
IUPAC Name2-methyl-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]propane-2-sulfinamide
SMILESC[C@@H](NS(=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?/m1/s1
InChIKeyUCIRJFZSOBBXDU-ZZYURMEMSA-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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]propane-2-sulfinamide (CID 66661445) is 2-methyl-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]propane-2-sulfinamide is C[C@@H](NS(=O)C(C)(C)C)c1cnc(C(F)(F)F)nc1.
What is the InChIKey of 2-methyl-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]propane-2-sulfinamide?
The InChIKey is UCIRJFZSOBBXDU-ZZYURMEMSA-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?/m1/s1.
What are the key properties of 2-methyl-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]propane-2-sulfinamide?
2-methyl-N-[(1R)-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 2-methyl-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]propane-2-sulfinamide is sourced from PubChem (CID 66661445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).