N-[1-(5-bromo-3-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide

C11H16BrFN2OS — CID 21075887

IUPACN-[1-(5-bromo-3-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
SMILESCC(NS(=O)C(C)(C)C)c1ncc(Br)cc1F
InChIInChI=1S/C11H16BrFN2OS/c1-7(15-17(16)11(2,3)4)10-9(13)5-8(12)6-14-10/h5-7,15H,1-4H3
InChIKeyHTGIXEHYNVOPQX-UHFFFAOYSA-N
MW323.23 g/mol
LogP3.10
Rot. Bonds3

About N-[1-(5-bromo-3-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide

N-[1-(5-bromo-3-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 21075887) has the molecular formula C11H16BrFN2OS and a molecular weight of 323.23 g/mol. Its IUPAC name is N-[1-(5-bromo-3-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[1-(5-bromo-3-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
PubChem CID21075887
Molecular FormulaC11H16BrFN2OS
Molecular Weight323.23 g/mol
Exact Mass322.02
IUPAC NameN-[1-(5-bromo-3-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
SMILESCC(NS(=O)C(C)(C)C)c1ncc(Br)cc1F
InChIInChI=1S/C11H16BrFN2OS/c1-7(15-17(16)11(2,3)4)10-9(13)5-8(12)6-14-10/h5-7,15H,1-4H3
InChIKeyHTGIXEHYNVOPQX-UHFFFAOYSA-N
XLogP3.10
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-3-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[1-(5-bromo-3-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide (CID 21075887) is N-[1-(5-bromo-3-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[1-(5-bromo-3-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[1-(5-bromo-3-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide is CC(NS(=O)C(C)(C)C)c1ncc(Br)cc1F.
What is the InChIKey of N-[1-(5-bromo-3-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is HTGIXEHYNVOPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrFN2OS/c1-7(15-17(16)11(2,3)4)10-9(13)5-8(12)6-14-10/h5-7,15H,1-4H3.
What are the key properties of N-[1-(5-bromo-3-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide?
N-[1-(5-bromo-3-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 323.23 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-3-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 21075887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).