2,2,2-trifluoro-N-[2-methyl-1-[(2-methyl-3-pyridinyl)sulfanyl]propan-2-yl]acetamide

C12H15F3N2OS — CID 142065485

IUPAC2,2,2-trifluoro-N-[2-methyl-1-[(2-methyl-3-pyridinyl)sulfanyl]propan-2-yl]acetamide
SMILESCc1ncccc1SCC(C)(C)NC(=O)C(F)(F)F
InChIInChI=1S/C12H15F3N2OS/c1-8-9(5-4-6-16-8)19-7-11(2,3)17-10(18)12(13,14)15/h4-6H,7H2,1-3H3,(H,17,18)
InChIKeyLYGYYTDLSZXRHD-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.94
Rot. Bonds4

About 2,2,2-trifluoro-N-[2-methyl-1-[(2-methyl-3-pyridinyl)sulfanyl]propan-2-yl]acetamide

2,2,2-trifluoro-N-[2-methyl-1-[(2-methyl-3-pyridinyl)sulfanyl]propan-2-yl]acetamide (PubChem CID 142065485) has the molecular formula C12H15F3N2OS and a molecular weight of 292.33 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-methyl-1-[(2-methyl-3-pyridinyl)sulfanyl]propan-2-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-methyl-1-[(2-methyl-3-pyridinyl)sulfanyl]propan-2-yl]acetamide
PubChem CID142065485
Molecular FormulaC12H15F3N2OS
Molecular Weight292.33 g/mol
Exact Mass292.09
IUPAC Name2,2,2-trifluoro-N-[2-methyl-1-[(2-methyl-3-pyridinyl)sulfanyl]propan-2-yl]acetamide
SMILESCc1ncccc1SCC(C)(C)NC(=O)C(F)(F)F
InChIInChI=1S/C12H15F3N2OS/c1-8-9(5-4-6-16-8)19-7-11(2,3)17-10(18)12(13,14)15/h4-6H,7H2,1-3H3,(H,17,18)
InChIKeyLYGYYTDLSZXRHD-UHFFFAOYSA-N
XLogP2.94
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-methyl-1-[(2-methyl-3-pyridinyl)sulfanyl]propan-2-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-methyl-1-[(2-methyl-3-pyridinyl)sulfanyl]propan-2-yl]acetamide (CID 142065485) is 2,2,2-trifluoro-N-[2-methyl-1-[(2-methyl-3-pyridinyl)sulfanyl]propan-2-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-methyl-1-[(2-methyl-3-pyridinyl)sulfanyl]propan-2-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-methyl-1-[(2-methyl-3-pyridinyl)sulfanyl]propan-2-yl]acetamide is Cc1ncccc1SCC(C)(C)NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-methyl-1-[(2-methyl-3-pyridinyl)sulfanyl]propan-2-yl]acetamide?
The InChIKey is LYGYYTDLSZXRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2OS/c1-8-9(5-4-6-16-8)19-7-11(2,3)17-10(18)12(13,14)15/h4-6H,7H2,1-3H3,(H,17,18).
What are the key properties of 2,2,2-trifluoro-N-[2-methyl-1-[(2-methyl-3-pyridinyl)sulfanyl]propan-2-yl]acetamide?
2,2,2-trifluoro-N-[2-methyl-1-[(2-methyl-3-pyridinyl)sulfanyl]propan-2-yl]acetamide has a molecular weight of 292.33 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-methyl-1-[(2-methyl-3-pyridinyl)sulfanyl]propan-2-yl]acetamide is sourced from PubChem (CID 142065485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).