1-(2,5-difluorophenyl)-3-methylsulfonylpropan-2-amine

C10H13F2NO2S — CID 82239345

IUPAC1-(2,5-difluorophenyl)-3-methylsulfonylpropan-2-amine
SMILESCS(=O)(=O)CC(N)Cc1cc(F)ccc1F
InChIInChI=1S/C10H13F2NO2S/c1-16(14,15)6-9(13)5-7-4-8(11)2-3-10(7)12/h2-4,9H,5-6,13H2,1H3
InChIKeyOEWZDSHLCSTIKZ-UHFFFAOYSA-N
MW249.28 g/mol
LogP0.88
Rot. Bonds4

About 1-(2,5-difluorophenyl)-3-methylsulfonylpropan-2-amine

1-(2,5-difluorophenyl)-3-methylsulfonylpropan-2-amine (PubChem CID 82239345) has the molecular formula C10H13F2NO2S and a molecular weight of 249.28 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-3-methylsulfonylpropan-2-amine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-3-methylsulfonylpropan-2-amine
PubChem CID82239345
Molecular FormulaC10H13F2NO2S
Molecular Weight249.28 g/mol
Exact Mass249.06
IUPAC Name1-(2,5-difluorophenyl)-3-methylsulfonylpropan-2-amine
SMILESCS(=O)(=O)CC(N)Cc1cc(F)ccc1F
InChIInChI=1S/C10H13F2NO2S/c1-16(14,15)6-9(13)5-7-4-8(11)2-3-10(7)12/h2-4,9H,5-6,13H2,1H3
InChIKeyOEWZDSHLCSTIKZ-UHFFFAOYSA-N
XLogP0.88
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,5-difluorophenyl)-3-methylsulfonylpropan-2-amine 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 1-(2,5-difluorophenyl)-3-methylsulfonylpropan-2-amine?
The IUPAC name of 1-(2,5-difluorophenyl)-3-methylsulfonylpropan-2-amine (CID 82239345) is 1-(2,5-difluorophenyl)-3-methylsulfonylpropan-2-amine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-3-methylsulfonylpropan-2-amine?
The canonical SMILES for 1-(2,5-difluorophenyl)-3-methylsulfonylpropan-2-amine is CS(=O)(=O)CC(N)Cc1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-3-methylsulfonylpropan-2-amine?
The InChIKey is OEWZDSHLCSTIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO2S/c1-16(14,15)6-9(13)5-7-4-8(11)2-3-10(7)12/h2-4,9H,5-6,13H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)-3-methylsulfonylpropan-2-amine?
1-(2,5-difluorophenyl)-3-methylsulfonylpropan-2-amine has a molecular weight of 249.28 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-3-methylsulfonylpropan-2-amine is sourced from PubChem (CID 82239345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).