6-fluoro-N-(2-methylsulfonylethyl)pyridin-2-amine

C8H11FN2O2S — CID 61228799

IUPAC6-fluoro-N-(2-methylsulfonylethyl)pyridin-2-amine
SMILESCS(=O)(=O)CCNc1cccc(F)n1
InChIInChI=1S/C8H11FN2O2S/c1-14(12,13)6-5-10-8-4-2-3-7(9)11-8/h2-4H,5-6H2,1H3,(H,10,11)
InChIKeyJPFKHCAOPZTSQN-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.68
Rot. Bonds4

About 6-fluoro-N-(2-methylsulfonylethyl)pyridin-2-amine

6-fluoro-N-(2-methylsulfonylethyl)pyridin-2-amine (PubChem CID 61228799) has the molecular formula C8H11FN2O2S and a molecular weight of 218.25 g/mol. Its IUPAC name is 6-fluoro-N-(2-methylsulfonylethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-fluoro-N-(2-methylsulfonylethyl)pyridin-2-amine
PubChem CID61228799
Molecular FormulaC8H11FN2O2S
Molecular Weight218.25 g/mol
Exact Mass218.05
IUPAC Name6-fluoro-N-(2-methylsulfonylethyl)pyridin-2-amine
SMILESCS(=O)(=O)CCNc1cccc(F)n1
InChIInChI=1S/C8H11FN2O2S/c1-14(12,13)6-5-10-8-4-2-3-7(9)11-8/h2-4H,5-6H2,1H3,(H,10,11)
InChIKeyJPFKHCAOPZTSQN-UHFFFAOYSA-N
XLogP0.68
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(2-methylsulfonylethyl)pyridin-2-amine?
The IUPAC name of 6-fluoro-N-(2-methylsulfonylethyl)pyridin-2-amine (CID 61228799) is 6-fluoro-N-(2-methylsulfonylethyl)pyridin-2-amine.
What is the SMILES notation for 6-fluoro-N-(2-methylsulfonylethyl)pyridin-2-amine?
The canonical SMILES for 6-fluoro-N-(2-methylsulfonylethyl)pyridin-2-amine is CS(=O)(=O)CCNc1cccc(F)n1.
What is the InChIKey of 6-fluoro-N-(2-methylsulfonylethyl)pyridin-2-amine?
The InChIKey is JPFKHCAOPZTSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O2S/c1-14(12,13)6-5-10-8-4-2-3-7(9)11-8/h2-4H,5-6H2,1H3,(H,10,11).
What are the key properties of 6-fluoro-N-(2-methylsulfonylethyl)pyridin-2-amine?
6-fluoro-N-(2-methylsulfonylethyl)pyridin-2-amine has a molecular weight of 218.25 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(2-methylsulfonylethyl)pyridin-2-amine is sourced from PubChem (CID 61228799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).