N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine

C12H19FN2O2S — CID 83119908

IUPACN-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine
SMILESCC(NCC(C)(C)S(C)(=O)=O)c1ccc(F)cn1
InChIInChI=1S/C12H19FN2O2S/c1-9(11-6-5-10(13)7-14-11)15-8-12(2,3)18(4,16)17/h5-7,9,15H,8H2,1-4H3
InChIKeySSYPSUHUCKNVEY-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.69
Rot. Bonds5

About N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine

N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine (PubChem CID 83119908) has the molecular formula C12H19FN2O2S and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine
PubChem CID83119908
Molecular FormulaC12H19FN2O2S
Molecular Weight274.36 g/mol
Exact Mass274.12
IUPAC NameN-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine
SMILESCC(NCC(C)(C)S(C)(=O)=O)c1ccc(F)cn1
InChIInChI=1S/C12H19FN2O2S/c1-9(11-6-5-10(13)7-14-11)15-8-12(2,3)18(4,16)17/h5-7,9,15H,8H2,1-4H3
InChIKeySSYPSUHUCKNVEY-UHFFFAOYSA-N
XLogP1.69
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine?
The IUPAC name of N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine (CID 83119908) is N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine.
What is the SMILES notation for N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine?
The canonical SMILES for N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine is CC(NCC(C)(C)S(C)(=O)=O)c1ccc(F)cn1.
What is the InChIKey of N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine?
The InChIKey is SSYPSUHUCKNVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O2S/c1-9(11-6-5-10(13)7-14-11)15-8-12(2,3)18(4,16)17/h5-7,9,15H,8H2,1-4H3.
What are the key properties of N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine?
N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine has a molecular weight of 274.36 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine is sourced from PubChem (CID 83119908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).