(2-ethyl-3-pyridinyl)-imino-methyl-oxo-λ6-sulfane

C8H12N2OS — CID 154975722

IUPAC(2-ethyl-3-pyridinyl)-imino-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)c1cccnc1CC
InChIInChI=1S/C8H12N2OS/c1-3-7-8(12(2,9)11)5-4-6-10-7/h4-6,9H,3H2,1-2H3
InChIKeyOKKFGZYOTLTEHN-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.68
Rot. Bonds2

About (2-ethyl-3-pyridinyl)-imino-methyl-oxo-λ6-sulfane

(2-ethyl-3-pyridinyl)-imino-methyl-oxo-λ6-sulfane (PubChem CID 154975722) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is (2-ethyl-3-pyridinyl)-imino-methyl-oxo-λ6-sulfane.

Molecular Properties

Compound Name(2-ethyl-3-pyridinyl)-imino-methyl-oxo-λ6-sulfane
PubChem CID154975722
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name(2-ethyl-3-pyridinyl)-imino-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)c1cccnc1CC
InChIInChI=1S/C8H12N2OS/c1-3-7-8(12(2,9)11)5-4-6-10-7/h4-6,9H,3H2,1-2H3
InChIKeyOKKFGZYOTLTEHN-UHFFFAOYSA-N
XLogP1.68
TPSA53.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-diethylpyridine
CID 14747123
(3-ethylsulfonyl-2-pyridinyl)methanamine
CID 146050328
3-tert-butyl-2-ethylpyridine
CID 20664467
2-(3-methylsulfonyl-2-pyridinyl)acetic acid
CID 114600213
imino-methyl-oxo-pyrimidin-2-yl-λ6-sulfane
CID 125424928
2-ethyl-3-[4-(2-methoxyphenyl)sulfonylpiperidin-1-yl]pyridine
CID 91229627
N-[(3-ethyl-2-pyridinyl)methyl]-4-methylsulfonylaniline
CID 82739933
4-(2-ethyl-3-pyridinyl)benzenesulfonamide
CID 135215763
3-ethyl-2-(iodomethyl)pyridine
CID 166542162
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylsulfonylpyridin-2-amine
CID 114599022
ethyl 2-(3-sulfamoyl-2-pyridinyl)acetate
CID 141212885
2-ethyl-3-isocyanopyridine
CID 157404495

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-3-pyridinyl)-imino-methyl-oxo-λ6-sulfane?
The IUPAC name of (2-ethyl-3-pyridinyl)-imino-methyl-oxo-λ6-sulfane (CID 154975722) is (2-ethyl-3-pyridinyl)-imino-methyl-oxo-λ6-sulfane.
What is the SMILES notation for (2-ethyl-3-pyridinyl)-imino-methyl-oxo-λ6-sulfane?
The canonical SMILES for (2-ethyl-3-pyridinyl)-imino-methyl-oxo-λ6-sulfane is [H]N=S(C)(=O)c1cccnc1CC.
What is the InChIKey of (2-ethyl-3-pyridinyl)-imino-methyl-oxo-λ6-sulfane?
The InChIKey is OKKFGZYOTLTEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-3-7-8(12(2,9)11)5-4-6-10-7/h4-6,9H,3H2,1-2H3.
What are the key properties of (2-ethyl-3-pyridinyl)-imino-methyl-oxo-λ6-sulfane?
(2-ethyl-3-pyridinyl)-imino-methyl-oxo-λ6-sulfane has a molecular weight of 184.26 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-3-pyridinyl)-imino-methyl-oxo-λ6-sulfane is sourced from PubChem (CID 154975722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).