6-fluoro-N-(2-methyl-2-methylsulfonylpropyl)pyridin-2-amine

C10H15FN2O2S — CID 79555925

IUPAC6-fluoro-N-(2-methyl-2-methylsulfonylpropyl)pyridin-2-amine
SMILESCC(C)(CNc1cccc(F)n1)S(C)(=O)=O
InChIInChI=1S/C10H15FN2O2S/c1-10(2,16(3,14)15)7-12-9-6-4-5-8(11)13-9/h4-6H,7H2,1-3H3,(H,12,13)
InChIKeyUVVXIQRMCBJGGB-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.46
Rot. Bonds4

About 6-fluoro-N-(2-methyl-2-methylsulfonylpropyl)pyridin-2-amine

6-fluoro-N-(2-methyl-2-methylsulfonylpropyl)pyridin-2-amine (PubChem CID 79555925) has the molecular formula C10H15FN2O2S and a molecular weight of 246.31 g/mol. Its IUPAC name is 6-fluoro-N-(2-methyl-2-methylsulfonylpropyl)pyridin-2-amine.

Molecular Properties

Compound Name6-fluoro-N-(2-methyl-2-methylsulfonylpropyl)pyridin-2-amine
PubChem CID79555925
Molecular FormulaC10H15FN2O2S
Molecular Weight246.31 g/mol
Exact Mass246.08
IUPAC Name6-fluoro-N-(2-methyl-2-methylsulfonylpropyl)pyridin-2-amine
SMILESCC(C)(CNc1cccc(F)n1)S(C)(=O)=O
InChIInChI=1S/C10H15FN2O2S/c1-10(2,16(3,14)15)7-12-9-6-4-5-8(11)13-9/h4-6H,7H2,1-3H3,(H,12,13)
InChIKeyUVVXIQRMCBJGGB-UHFFFAOYSA-N
XLogP1.46
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.46
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-methyl-2-methylsulfonylpropyl)pyridin-2-amine?
The IUPAC name of 6-fluoro-N-(2-methyl-2-methylsulfonylpropyl)pyridin-2-amine (CID 79555925) is 6-fluoro-N-(2-methyl-2-methylsulfonylpropyl)pyridin-2-amine.
What is the SMILES notation for 6-fluoro-N-(2-methyl-2-methylsulfonylpropyl)pyridin-2-amine?
The canonical SMILES for 6-fluoro-N-(2-methyl-2-methylsulfonylpropyl)pyridin-2-amine is CC(C)(CNc1cccc(F)n1)S(C)(=O)=O.
What is the InChIKey of 6-fluoro-N-(2-methyl-2-methylsulfonylpropyl)pyridin-2-amine?
The InChIKey is UVVXIQRMCBJGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O2S/c1-10(2,16(3,14)15)7-12-9-6-4-5-8(11)13-9/h4-6H,7H2,1-3H3,(H,12,13).
What are the key properties of 6-fluoro-N-(2-methyl-2-methylsulfonylpropyl)pyridin-2-amine?
6-fluoro-N-(2-methyl-2-methylsulfonylpropyl)pyridin-2-amine has a molecular weight of 246.31 g/mol, XLogP of 1.46, 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-methyl-2-methylsulfonylpropyl)pyridin-2-amine is sourced from PubChem (CID 79555925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).