N-(1-ethylsulfonylpropan-2-yl)-6-fluoropyridin-3-amine

C10H15FN2O2S — CID 104872087

IUPACN-(1-ethylsulfonylpropan-2-yl)-6-fluoropyridin-3-amine
SMILESCCS(=O)(=O)CC(C)Nc1ccc(F)nc1
InChIInChI=1S/C10H15FN2O2S/c1-3-16(14,15)7-8(2)13-9-4-5-10(11)12-6-9/h4-6,8,13H,3,7H2,1-2H3
InChIKeyWHJJBMTYOWERJR-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.46
Rot. Bonds5

About N-(1-ethylsulfonylpropan-2-yl)-6-fluoropyridin-3-amine

N-(1-ethylsulfonylpropan-2-yl)-6-fluoropyridin-3-amine (PubChem CID 104872087) has the molecular formula C10H15FN2O2S and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(1-ethylsulfonylpropan-2-yl)-6-fluoropyridin-3-amine.

Molecular Properties

Compound NameN-(1-ethylsulfonylpropan-2-yl)-6-fluoropyridin-3-amine
PubChem CID104872087
Molecular FormulaC10H15FN2O2S
Molecular Weight246.31 g/mol
Exact Mass246.08
IUPAC NameN-(1-ethylsulfonylpropan-2-yl)-6-fluoropyridin-3-amine
SMILESCCS(=O)(=O)CC(C)Nc1ccc(F)nc1
InChIInChI=1S/C10H15FN2O2S/c1-3-16(14,15)7-8(2)13-9-4-5-10(11)12-6-9/h4-6,8,13H,3,7H2,1-2H3
InChIKeyWHJJBMTYOWERJR-UHFFFAOYSA-N
XLogP1.46
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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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Related Compounds

4-fluoro-N-pyridin-3-ylbenzenesulfonamide
CID 676049
N-(propan-2-yl)pyridin-3-amine
CID 817747
N-(4-Fluoro-phenyl)-2-(pyridin-3-ylcarbamoylmethanesulfinyl)-acetamide
CID 1462949
2-(phenylsulfonyl)-N-(3-pyridyl)acetamide
CID 2991697
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
N-[3-(3-fluoroanilino)-4-pyridinyl]methanesulfonamide
CID 76317628
N-[3-(4-fluoroanilino)-4-pyridinyl]methanesulfonamide
CID 76328516

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfonylpropan-2-yl)-6-fluoropyridin-3-amine?
The IUPAC name of N-(1-ethylsulfonylpropan-2-yl)-6-fluoropyridin-3-amine (CID 104872087) is N-(1-ethylsulfonylpropan-2-yl)-6-fluoropyridin-3-amine.
What is the SMILES notation for N-(1-ethylsulfonylpropan-2-yl)-6-fluoropyridin-3-amine?
The canonical SMILES for N-(1-ethylsulfonylpropan-2-yl)-6-fluoropyridin-3-amine is CCS(=O)(=O)CC(C)Nc1ccc(F)nc1.
What is the InChIKey of N-(1-ethylsulfonylpropan-2-yl)-6-fluoropyridin-3-amine?
The InChIKey is WHJJBMTYOWERJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O2S/c1-3-16(14,15)7-8(2)13-9-4-5-10(11)12-6-9/h4-6,8,13H,3,7H2,1-2H3.
What are the key properties of N-(1-ethylsulfonylpropan-2-yl)-6-fluoropyridin-3-amine?
N-(1-ethylsulfonylpropan-2-yl)-6-fluoropyridin-3-amine has a molecular weight of 246.31 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfonylpropan-2-yl)-6-fluoropyridin-3-amine is sourced from PubChem (CID 104872087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).