3-(2-fluoro-4-methylsulfonylphenyl)propan-1-amine

C10H14FNO2S — CID 84794355

IUPAC3-(2-fluoro-4-methylsulfonylphenyl)propan-1-amine
SMILESCS(=O)(=O)c1ccc(CCCN)c(F)c1
InChIInChI=1S/C10H14FNO2S/c1-15(13,14)9-5-4-8(3-2-6-12)10(11)7-9/h4-5,7H,2-3,6,12H2,1H3
InChIKeyMQSRNARNJIVVCM-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.12
Rot. Bonds4

About 3-(2-fluoro-4-methylsulfonylphenyl)propan-1-amine

3-(2-fluoro-4-methylsulfonylphenyl)propan-1-amine (PubChem CID 84794355) has the molecular formula C10H14FNO2S and a molecular weight of 231.29 g/mol. Its IUPAC name is 3-(2-fluoro-4-methylsulfonylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-fluoro-4-methylsulfonylphenyl)propan-1-amine
PubChem CID84794355
Molecular FormulaC10H14FNO2S
Molecular Weight231.29 g/mol
Exact Mass231.07
IUPAC Name3-(2-fluoro-4-methylsulfonylphenyl)propan-1-amine
SMILESCS(=O)(=O)c1ccc(CCCN)c(F)c1
InChIInChI=1S/C10H14FNO2S/c1-15(13,14)9-5-4-8(3-2-6-12)10(11)7-9/h4-5,7H,2-3,6,12H2,1H3
InChIKeyMQSRNARNJIVVCM-UHFFFAOYSA-N
XLogP1.12
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 ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-methylsulfonylphenyl)propan-1-amine?
The IUPAC name of 3-(2-fluoro-4-methylsulfonylphenyl)propan-1-amine (CID 84794355) is 3-(2-fluoro-4-methylsulfonylphenyl)propan-1-amine.
What is the SMILES notation for 3-(2-fluoro-4-methylsulfonylphenyl)propan-1-amine?
The canonical SMILES for 3-(2-fluoro-4-methylsulfonylphenyl)propan-1-amine is CS(=O)(=O)c1ccc(CCCN)c(F)c1.
What is the InChIKey of 3-(2-fluoro-4-methylsulfonylphenyl)propan-1-amine?
The InChIKey is MQSRNARNJIVVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2S/c1-15(13,14)9-5-4-8(3-2-6-12)10(11)7-9/h4-5,7H,2-3,6,12H2,1H3.
What are the key properties of 3-(2-fluoro-4-methylsulfonylphenyl)propan-1-amine?
3-(2-fluoro-4-methylsulfonylphenyl)propan-1-amine has a molecular weight of 231.29 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-methylsulfonylphenyl)propan-1-amine is sourced from PubChem (CID 84794355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).