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

Related Compounds

1-(4-fluorophenyl)-3-methylsulfonylpropan-2-amine
CID 62473089
1-(3-fluorophenyl)-3-methylsulfonylpropan-2-amine
CID 62473637
1-(2,4-difluorophenyl)-5-methylsulfonylpentan-2-amine
CID 64558701
2-amino-3-(2,5-difluorophenyl)propan-1-ol;hydrochloride
CID 170891936
1-[(2,5-difluorophenyl)methylsulfonyl]propan-2-amine
CID 81189091
1-(2,5-difluorophenyl)-5-methoxypentan-2-amine
CID 65092447
1-(2,5-difluorophenyl)-3-(4-methylphenyl)propan-2-amine
CID 62329924
methyl 3-amino-4-(2,5-difluorophenyl)butanoate
CID 72978585
ethyl 3-amino-4-(2,5-difluorophenyl)butanoate
CID 59009740
1-(3-chloro-2-fluorophenyl)-3-methylsulfonylpropan-2-amine
CID 102867071
(2S)-3-(2,5-difluorophenyl)-2-methylpropan-1-amine
CID 94460708
3-(2,5-difluorophenyl)-2-methylpropan-1-amine
CID 62505348

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).