N-[(2,6-dimethyl-4-pyridinyl)methyl-methyl-λ4-sulfanylidene]-2,2,2-trifluoroacetamide

C11H13F3N2OS — CID 123165607

IUPACN-[(2,6-dimethyl-4-pyridinyl)methyl-methyl-λ4-sulfanylidene]-2,2,2-trifluoroacetamide
SMILESCc1cc(C/S(C)=N/C(=O)C(F)(F)F)cc(C)n1
InChIInChI=1S/C11H13F3N2OS/c1-7-4-9(5-8(2)15-7)6-18(3)16-10(17)11(12,13)14/h4-5H,6H2,1-3H3
InChIKeyNLWXBIJYRRVZTI-UHFFFAOYSA-N
MW278.30 g/mol
LogP2.72
Rot. Bonds2

About N-[(2,6-dimethyl-4-pyridinyl)methyl-methyl-λ4-sulfanylidene]-2,2,2-trifluoroacetamide

N-[(2,6-dimethyl-4-pyridinyl)methyl-methyl-λ4-sulfanylidene]-2,2,2-trifluoroacetamide (PubChem CID 123165607) has the molecular formula C11H13F3N2OS and a molecular weight of 278.30 g/mol. Its IUPAC name is N-[(2,6-dimethyl-4-pyridinyl)methyl-methyl-λ4-sulfanylidene]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(2,6-dimethyl-4-pyridinyl)methyl-methyl-λ4-sulfanylidene]-2,2,2-trifluoroacetamide
PubChem CID123165607
Molecular FormulaC11H13F3N2OS
Molecular Weight278.30 g/mol
Exact Mass278.07
IUPAC NameN-[(2,6-dimethyl-4-pyridinyl)methyl-methyl-λ4-sulfanylidene]-2,2,2-trifluoroacetamide
SMILESCc1cc(C/S(C)=N/C(=O)C(F)(F)F)cc(C)n1
InChIInChI=1S/C11H13F3N2OS/c1-7-4-9(5-8(2)15-7)6-18(3)16-10(17)11(12,13)14/h4-5H,6H2,1-3H3
InChIKeyNLWXBIJYRRVZTI-UHFFFAOYSA-N
XLogP2.72
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethyl-4-pyridinyl)methyl-methyl-λ4-sulfanylidene]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(2,6-dimethyl-4-pyridinyl)methyl-methyl-λ4-sulfanylidene]-2,2,2-trifluoroacetamide (CID 123165607) is N-[(2,6-dimethyl-4-pyridinyl)methyl-methyl-λ4-sulfanylidene]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(2,6-dimethyl-4-pyridinyl)methyl-methyl-λ4-sulfanylidene]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(2,6-dimethyl-4-pyridinyl)methyl-methyl-λ4-sulfanylidene]-2,2,2-trifluoroacetamide is Cc1cc(C/S(C)=N/C(=O)C(F)(F)F)cc(C)n1.
What is the InChIKey of N-[(2,6-dimethyl-4-pyridinyl)methyl-methyl-λ4-sulfanylidene]-2,2,2-trifluoroacetamide?
The InChIKey is NLWXBIJYRRVZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2OS/c1-7-4-9(5-8(2)15-7)6-18(3)16-10(17)11(12,13)14/h4-5H,6H2,1-3H3.
What are the key properties of N-[(2,6-dimethyl-4-pyridinyl)methyl-methyl-λ4-sulfanylidene]-2,2,2-trifluoroacetamide?
N-[(2,6-dimethyl-4-pyridinyl)methyl-methyl-λ4-sulfanylidene]-2,2,2-trifluoroacetamide has a molecular weight of 278.30 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethyl-4-pyridinyl)methyl-methyl-λ4-sulfanylidene]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 123165607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).