[5-fluoro-2-(oxan-4-ylsulfonylmethyl)phenyl]methanamine

C13H18FNO3S — CID 64697673

IUPAC[5-fluoro-2-(oxan-4-ylsulfonylmethyl)phenyl]methanamine
SMILESNCc1cc(F)ccc1CS(=O)(=O)C1CCOCC1
InChIInChI=1S/C13H18FNO3S/c14-12-2-1-10(11(7-12)8-15)9-19(16,17)13-3-5-18-6-4-13/h1-2,7,13H,3-6,8-9,15H2
InChIKeyKTOVTTSRGUDRRM-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.38
Rot. Bonds4

About [5-fluoro-2-(oxan-4-ylsulfonylmethyl)phenyl]methanamine

[5-fluoro-2-(oxan-4-ylsulfonylmethyl)phenyl]methanamine (PubChem CID 64697673) has the molecular formula C13H18FNO3S and a molecular weight of 287.36 g/mol. Its IUPAC name is [5-fluoro-2-(oxan-4-ylsulfonylmethyl)phenyl]methanamine.

Molecular Properties

Compound Name[5-fluoro-2-(oxan-4-ylsulfonylmethyl)phenyl]methanamine
PubChem CID64697673
Molecular FormulaC13H18FNO3S
Molecular Weight287.36 g/mol
Exact Mass287.10
IUPAC Name[5-fluoro-2-(oxan-4-ylsulfonylmethyl)phenyl]methanamine
SMILESNCc1cc(F)ccc1CS(=O)(=O)C1CCOCC1
InChIInChI=1S/C13H18FNO3S/c14-12-2-1-10(11(7-12)8-15)9-19(16,17)13-3-5-18-6-4-13/h1-2,7,13H,3-6,8-9,15H2
InChIKeyKTOVTTSRGUDRRM-UHFFFAOYSA-N
XLogP1.38
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-fluoro-2-(oxan-4-ylsulfonylmethyl)phenyl]methanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-(oxan-4-ylsulfonylmethyl)phenyl]methanamine?
The IUPAC name of [5-fluoro-2-(oxan-4-ylsulfonylmethyl)phenyl]methanamine (CID 64697673) is [5-fluoro-2-(oxan-4-ylsulfonylmethyl)phenyl]methanamine.
What is the SMILES notation for [5-fluoro-2-(oxan-4-ylsulfonylmethyl)phenyl]methanamine?
The canonical SMILES for [5-fluoro-2-(oxan-4-ylsulfonylmethyl)phenyl]methanamine is NCc1cc(F)ccc1CS(=O)(=O)C1CCOCC1.
What is the InChIKey of [5-fluoro-2-(oxan-4-ylsulfonylmethyl)phenyl]methanamine?
The InChIKey is KTOVTTSRGUDRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3S/c14-12-2-1-10(11(7-12)8-15)9-19(16,17)13-3-5-18-6-4-13/h1-2,7,13H,3-6,8-9,15H2.
What are the key properties of [5-fluoro-2-(oxan-4-ylsulfonylmethyl)phenyl]methanamine?
[5-fluoro-2-(oxan-4-ylsulfonylmethyl)phenyl]methanamine has a molecular weight of 287.36 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-(oxan-4-ylsulfonylmethyl)phenyl]methanamine is sourced from PubChem (CID 64697673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).