6-fluoro-N-(1-methylsulfonylpropan-2-yl)pyridin-3-amine

C9H13FN2O2S — CID 107095377

IUPAC6-fluoro-N-(1-methylsulfonylpropan-2-yl)pyridin-3-amine
SMILESCC(CS(C)(=O)=O)Nc1ccc(F)nc1
InChIInChI=1S/C9H13FN2O2S/c1-7(6-15(2,13)14)12-8-3-4-9(10)11-5-8/h3-5,7,12H,6H2,1-2H3
InChIKeyOQZIGFRPXOZIII-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.07
Rot. Bonds4

About 6-fluoro-N-(1-methylsulfonylpropan-2-yl)pyridin-3-amine

6-fluoro-N-(1-methylsulfonylpropan-2-yl)pyridin-3-amine (PubChem CID 107095377) has the molecular formula C9H13FN2O2S and a molecular weight of 232.28 g/mol. Its IUPAC name is 6-fluoro-N-(1-methylsulfonylpropan-2-yl)pyridin-3-amine.

Molecular Properties

Compound Name6-fluoro-N-(1-methylsulfonylpropan-2-yl)pyridin-3-amine
PubChem CID107095377
Molecular FormulaC9H13FN2O2S
Molecular Weight232.28 g/mol
Exact Mass232.07
IUPAC Name6-fluoro-N-(1-methylsulfonylpropan-2-yl)pyridin-3-amine
SMILESCC(CS(C)(=O)=O)Nc1ccc(F)nc1
InChIInChI=1S/C9H13FN2O2S/c1-7(6-15(2,13)14)12-8-3-4-9(10)11-5-8/h3-5,7,12H,6H2,1-2H3
InChIKeyOQZIGFRPXOZIII-UHFFFAOYSA-N
XLogP1.07
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-fluoro-N-(1-methylsulfonylpropan-2-yl)pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-N-pyridin-3-ylbenzenesulfonamide
CID 676049
N-(3-phenylamino-4-pyridinyl)methanesulfonamide
CID 44475843
2-Ethyl-1-pyridin-3-yl-isothiourea; hydrochloride
CID 10631254
N-(propan-2-yl)pyridin-3-amine
CID 817747
N-(4-Fluoro-phenyl)-2-(pyridin-3-ylcarbamoylmethanesulfinyl)-acetamide
CID 1462949
N-Butyl-3-pyridinamine
CID 22322612
6-(Methylsulfonyl)pyridin-3-amine
CID 20038977
4-Methanesulfonylpyridin-3-amine
CID 28889956
N-(3-phenylamino-4-pyridinyl)3,3,3-trifluoropropanesulfonamide
CID 44473495
N-(3-cyclopentylamino-4-pyridinyl)trifluoromethanesulfonamide
CID 44473650
N-(3-cyclopentylamino-4-pyridinyl)methanesulfonamide
CID 44473651
N-(3-anilino-4-pyridinyl)cyclopropanesulfonamide
CID 76310400

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(1-methylsulfonylpropan-2-yl)pyridin-3-amine?
The IUPAC name of 6-fluoro-N-(1-methylsulfonylpropan-2-yl)pyridin-3-amine (CID 107095377) is 6-fluoro-N-(1-methylsulfonylpropan-2-yl)pyridin-3-amine.
What is the SMILES notation for 6-fluoro-N-(1-methylsulfonylpropan-2-yl)pyridin-3-amine?
The canonical SMILES for 6-fluoro-N-(1-methylsulfonylpropan-2-yl)pyridin-3-amine is CC(CS(C)(=O)=O)Nc1ccc(F)nc1.
What is the InChIKey of 6-fluoro-N-(1-methylsulfonylpropan-2-yl)pyridin-3-amine?
The InChIKey is OQZIGFRPXOZIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O2S/c1-7(6-15(2,13)14)12-8-3-4-9(10)11-5-8/h3-5,7,12H,6H2,1-2H3.
What are the key properties of 6-fluoro-N-(1-methylsulfonylpropan-2-yl)pyridin-3-amine?
6-fluoro-N-(1-methylsulfonylpropan-2-yl)pyridin-3-amine has a molecular weight of 232.28 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(1-methylsulfonylpropan-2-yl)pyridin-3-amine is sourced from PubChem (CID 107095377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).