(6-fluoro-2-pyridinyl)imino-methyl-[1-(6-methyl-3-pyridinyl)ethyl]-oxo-λ6-sulfane

C14H16FN3OS — CID 89368735

IUPAC(6-fluoro-2-pyridinyl)imino-methyl-[1-(6-methyl-3-pyridinyl)ethyl]-oxo-λ6-sulfane
SMILESCc1ccc(C(C)S(C)(=O)=Nc2cccc(F)n2)cn1
InChIInChI=1S/C14H16FN3OS/c1-10-7-8-12(9-16-10)11(2)20(3,19)18-14-6-4-5-13(15)17-14/h4-9,11H,1-3H3
InChIKeyNGBCYJOTMAVAJZ-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.41
Rot. Bonds3

About (6-fluoro-2-pyridinyl)imino-methyl-[1-(6-methyl-3-pyridinyl)ethyl]-oxo-λ6-sulfane

(6-fluoro-2-pyridinyl)imino-methyl-[1-(6-methyl-3-pyridinyl)ethyl]-oxo-λ6-sulfane (PubChem CID 89368735) has the molecular formula C14H16FN3OS and a molecular weight of 293.37 g/mol. Its IUPAC name is (6-fluoro-2-pyridinyl)imino-methyl-[1-(6-methyl-3-pyridinyl)ethyl]-oxo-λ6-sulfane.

Molecular Properties

Compound Name(6-fluoro-2-pyridinyl)imino-methyl-[1-(6-methyl-3-pyridinyl)ethyl]-oxo-λ6-sulfane
PubChem CID89368735
Molecular FormulaC14H16FN3OS
Molecular Weight293.37 g/mol
Exact Mass293.10
IUPAC Name(6-fluoro-2-pyridinyl)imino-methyl-[1-(6-methyl-3-pyridinyl)ethyl]-oxo-λ6-sulfane
SMILESCc1ccc(C(C)S(C)(=O)=Nc2cccc(F)n2)cn1
InChIInChI=1S/C14H16FN3OS/c1-10-7-8-12(9-16-10)11(2)20(3,19)18-14-6-4-5-13(15)17-14/h4-9,11H,1-3H3
InChIKeyNGBCYJOTMAVAJZ-UHFFFAOYSA-N
XLogP3.41
TPSA55.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (6-fluoro-2-pyridinyl)imino-methyl-[1-(6-methyl-3-pyridinyl)ethyl]-oxo-λ6-sulfane with MolForge

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Related Compounds

methyl-[1-(6-methyl-3-pyridinyl)ethyl]-[(5-nitro-2-pyridinyl)imino]-oxo-λ6-sulfane
CID 89368761
imino-methyl-[1-(6-methyl-3-pyridinyl)ethyl]-oxo-λ6-sulfane
CID 58206002
deuterium monohydride;imino-methyl-[1-(6-methyl-3-pyridinyl)ethyl]-oxo-λ6-sulfane;4-methyl-N-[methyl-[1-(6-methyl-3-pyridinyl)ethyl]-oxo-λ6-sulfanylidene]benzenesulfonamide;sulfuric acid
CID 159316338
2-[(4-methoxyphenyl)methoxy]-1-[methyl-[1-(6-methyl-3-pyridinyl)ethyl]-oxo-λ6-sulfanylidene]guanidine
CID 123276887
5-(3,3-dimethylbutan-2-yl)-2-methylpyridine
CID 59623693
(2,6-difluorophenyl)-(6-methyl-3-pyridinyl)methanol
CID 63893537
1-(6-methyl-3-pyridinyl)-2-methylsulfonylethanol
CID 115609857
1-[6-(1,1-difluoropropyl)-3-pyridinyl]ethyl-methyl-oxo-[(4-pyridin-3-yl-1,3-thiazol-2-yl)imino]-λ6-sulfane
CID 162558788
N-methyl-1-(6-methyl-3-pyridinyl)-1-(3-methylsulfonylphenyl)methanamine
CID 115854901
4-methyl-N-[methyl-[1-(6-methyl-3-pyridinyl)ethyl]-λ4-sulfanylidene]benzenesulfonamide
CID 154044726
3-[(6-chloro-3-pyridinyl)methyl-(2,2-difluoroethyl)amino]cyclopent-2-en-1-one;methyl-methylimino-[1-(6-methyl-3-pyridinyl)ethyl]-oxo-λ6-sulfane
CID 160975384
[(3-fluorophenyl)-(6-methyl-3-pyridinyl)methyl]hydrazine
CID 105193053

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-2-pyridinyl)imino-methyl-[1-(6-methyl-3-pyridinyl)ethyl]-oxo-λ6-sulfane?
The IUPAC name of (6-fluoro-2-pyridinyl)imino-methyl-[1-(6-methyl-3-pyridinyl)ethyl]-oxo-λ6-sulfane (CID 89368735) is (6-fluoro-2-pyridinyl)imino-methyl-[1-(6-methyl-3-pyridinyl)ethyl]-oxo-λ6-sulfane.
What is the SMILES notation for (6-fluoro-2-pyridinyl)imino-methyl-[1-(6-methyl-3-pyridinyl)ethyl]-oxo-λ6-sulfane?
The canonical SMILES for (6-fluoro-2-pyridinyl)imino-methyl-[1-(6-methyl-3-pyridinyl)ethyl]-oxo-λ6-sulfane is Cc1ccc(C(C)S(C)(=O)=Nc2cccc(F)n2)cn1.
What is the InChIKey of (6-fluoro-2-pyridinyl)imino-methyl-[1-(6-methyl-3-pyridinyl)ethyl]-oxo-λ6-sulfane?
The InChIKey is NGBCYJOTMAVAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3OS/c1-10-7-8-12(9-16-10)11(2)20(3,19)18-14-6-4-5-13(15)17-14/h4-9,11H,1-3H3.
What are the key properties of (6-fluoro-2-pyridinyl)imino-methyl-[1-(6-methyl-3-pyridinyl)ethyl]-oxo-λ6-sulfane?
(6-fluoro-2-pyridinyl)imino-methyl-[1-(6-methyl-3-pyridinyl)ethyl]-oxo-λ6-sulfane has a molecular weight of 293.37 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-2-pyridinyl)imino-methyl-[1-(6-methyl-3-pyridinyl)ethyl]-oxo-λ6-sulfane is sourced from PubChem (CID 89368735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).