1-(3-fluorophenyl)-3-methylsulfonylpropan-2-amine

C10H14FNO2S — CID 62473637

IUPAC1-(3-fluorophenyl)-3-methylsulfonylpropan-2-amine
SMILESCS(=O)(=O)CC(N)Cc1cccc(F)c1
InChIInChI=1S/C10H14FNO2S/c1-15(13,14)7-10(12)6-8-3-2-4-9(11)5-8/h2-5,10H,6-7,12H2,1H3
InChIKeyPGLAGWNSIUCTSI-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.74
Rot. Bonds4

About 1-(3-fluorophenyl)-3-methylsulfonylpropan-2-amine

1-(3-fluorophenyl)-3-methylsulfonylpropan-2-amine (PubChem CID 62473637) has the molecular formula C10H14FNO2S and a molecular weight of 231.29 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-methylsulfonylpropan-2-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-methylsulfonylpropan-2-amine
PubChem CID62473637
Molecular FormulaC10H14FNO2S
Molecular Weight231.29 g/mol
Exact Mass231.07
IUPAC Name1-(3-fluorophenyl)-3-methylsulfonylpropan-2-amine
SMILESCS(=O)(=O)CC(N)Cc1cccc(F)c1
InChIInChI=1S/C10H14FNO2S/c1-15(13,14)7-10(12)6-8-3-2-4-9(11)5-8/h2-5,10H,6-7,12H2,1H3
InChIKeyPGLAGWNSIUCTSI-UHFFFAOYSA-N
XLogP0.74
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-3-methylsulfonylpropan-2-amine
CID 62473089
1-(3-fluorophenyl)nonan-2-amine
CID 63417129
1-(2,5-difluorophenyl)-3-methylsulfonylpropan-2-amine
CID 82239345
(1S)-1-(3-fluorophenyl)-2-methylsulfonylethanamine
CID 94451384
3-(3-fluorophenyl)-2-hydroxypropane-1-sulfonamide
CID 115039399
2-(3-fluorophenyl)-1-(3-methylsulfonylphenyl)ethanamine
CID 115795669
1-(2,6-difluorophenyl)-3-(3-fluorophenyl)propan-2-amine
CID 114931874
1-(3-fluorophenyl)-3-propan-2-yloxypropan-2-amine
CID 79574359
1-(3-fluorophenyl)-5,5-dimethylhexan-2-amine
CID 62602141
1-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-2-amine
CID 105373749
1-(3-fluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135054
N-ethyl-1-(3-fluorophenyl)-5-methylsulfonylpentan-2-amine
CID 63192315

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-methylsulfonylpropan-2-amine?
The IUPAC name of 1-(3-fluorophenyl)-3-methylsulfonylpropan-2-amine (CID 62473637) is 1-(3-fluorophenyl)-3-methylsulfonylpropan-2-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-3-methylsulfonylpropan-2-amine?
The canonical SMILES for 1-(3-fluorophenyl)-3-methylsulfonylpropan-2-amine is CS(=O)(=O)CC(N)Cc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-methylsulfonylpropan-2-amine?
The InChIKey is PGLAGWNSIUCTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2S/c1-15(13,14)7-10(12)6-8-3-2-4-9(11)5-8/h2-5,10H,6-7,12H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-3-methylsulfonylpropan-2-amine?
1-(3-fluorophenyl)-3-methylsulfonylpropan-2-amine has a molecular weight of 231.29 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-methylsulfonylpropan-2-amine is sourced from PubChem (CID 62473637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).