(6-tert-butyl-3-fluoro-2-pyridinyl)imino-dimethyl-oxo-λ6-sulfane

C11H17FN2OS — CID 171607031

IUPAC(6-tert-butyl-3-fluoro-2-pyridinyl)imino-dimethyl-oxo-λ6-sulfane
SMILESCC(C)(C)c1ccc(F)c(N=S(C)(C)=O)n1
InChIInChI=1S/C11H17FN2OS/c1-11(2,3)9-7-6-8(12)10(13-9)14-16(4,5)15/h6-7H,1-5H3
InChIKeyLEJMNKSXDBDGGU-UHFFFAOYSA-N
MW244.33 g/mol
LogP2.88
Rot. Bonds1

About (6-tert-butyl-3-fluoro-2-pyridinyl)imino-dimethyl-oxo-λ6-sulfane

(6-tert-butyl-3-fluoro-2-pyridinyl)imino-dimethyl-oxo-λ6-sulfane (PubChem CID 171607031) has the molecular formula C11H17FN2OS and a molecular weight of 244.33 g/mol. Its IUPAC name is (6-tert-butyl-3-fluoro-2-pyridinyl)imino-dimethyl-oxo-λ6-sulfane.

Molecular Properties

Compound Name(6-tert-butyl-3-fluoro-2-pyridinyl)imino-dimethyl-oxo-λ6-sulfane
PubChem CID171607031
Molecular FormulaC11H17FN2OS
Molecular Weight244.33 g/mol
Exact Mass244.10
IUPAC Name(6-tert-butyl-3-fluoro-2-pyridinyl)imino-dimethyl-oxo-λ6-sulfane
SMILESCC(C)(C)c1ccc(F)c(N=S(C)(C)=O)n1
InChIInChI=1S/C11H17FN2OS/c1-11(2,3)9-7-6-8(12)10(13-9)14-16(4,5)15/h6-7H,1-5H3
InChIKeyLEJMNKSXDBDGGU-UHFFFAOYSA-N
XLogP2.88
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-tert-butyl-3-fluoro-2-pyridinyl)imino-dimethyl-oxo-λ6-sulfane?
The IUPAC name of (6-tert-butyl-3-fluoro-2-pyridinyl)imino-dimethyl-oxo-λ6-sulfane (CID 171607031) is (6-tert-butyl-3-fluoro-2-pyridinyl)imino-dimethyl-oxo-λ6-sulfane.
What is the SMILES notation for (6-tert-butyl-3-fluoro-2-pyridinyl)imino-dimethyl-oxo-λ6-sulfane?
The canonical SMILES for (6-tert-butyl-3-fluoro-2-pyridinyl)imino-dimethyl-oxo-λ6-sulfane is CC(C)(C)c1ccc(F)c(N=S(C)(C)=O)n1.
What is the InChIKey of (6-tert-butyl-3-fluoro-2-pyridinyl)imino-dimethyl-oxo-λ6-sulfane?
The InChIKey is LEJMNKSXDBDGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2OS/c1-11(2,3)9-7-6-8(12)10(13-9)14-16(4,5)15/h6-7H,1-5H3.
What are the key properties of (6-tert-butyl-3-fluoro-2-pyridinyl)imino-dimethyl-oxo-λ6-sulfane?
(6-tert-butyl-3-fluoro-2-pyridinyl)imino-dimethyl-oxo-λ6-sulfane has a molecular weight of 244.33 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-tert-butyl-3-fluoro-2-pyridinyl)imino-dimethyl-oxo-λ6-sulfane is sourced from PubChem (CID 171607031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).