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

C10H14FNO2S — CID 59667408

IUPAC(2S)-1-fluoro-3-(4-methylsulfonylphenyl)propan-2-amine
SMILESCS(=O)(=O)c1ccc(C[C@H](N)CF)cc1
InChIInChI=1S/C10H14FNO2S/c1-15(13,14)10-4-2-8(3-5-10)6-9(12)7-11/h2-5,9H,6-7,12H2,1H3/t9-/m0/s1
InChIKeyCUAIZGNMAOEDSF-VIFPVBQESA-N
MW231.29 g/mol
LogP0.93
Rot. Bonds4

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

(2S)-1-fluoro-3-(4-methylsulfonylphenyl)propan-2-amine (PubChem CID 59667408) has the molecular formula C10H14FNO2S and a molecular weight of 231.29 g/mol. Its IUPAC name is (2S)-1-fluoro-3-(4-methylsulfonylphenyl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-fluoro-3-(4-methylsulfonylphenyl)propan-2-amine
PubChem CID59667408
Molecular FormulaC10H14FNO2S
Molecular Weight231.29 g/mol
Exact Mass231.07
IUPAC Name(2S)-1-fluoro-3-(4-methylsulfonylphenyl)propan-2-amine
SMILESCS(=O)(=O)c1ccc(C[C@H](N)CF)cc1
InChIInChI=1S/C10H14FNO2S/c1-15(13,14)10-4-2-8(3-5-10)6-9(12)7-11/h2-5,9H,6-7,12H2,1H3/t9-/m0/s1
InChIKeyCUAIZGNMAOEDSF-VIFPVBQESA-N
XLogP0.93
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 ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-fluoro-3-(4-methylsulfonylphenyl)propan-2-amine?
The IUPAC name of (2S)-1-fluoro-3-(4-methylsulfonylphenyl)propan-2-amine (CID 59667408) is (2S)-1-fluoro-3-(4-methylsulfonylphenyl)propan-2-amine.
What is the SMILES notation for (2S)-1-fluoro-3-(4-methylsulfonylphenyl)propan-2-amine?
The canonical SMILES for (2S)-1-fluoro-3-(4-methylsulfonylphenyl)propan-2-amine is CS(=O)(=O)c1ccc(C[C@H](N)CF)cc1.
What is the InChIKey of (2S)-1-fluoro-3-(4-methylsulfonylphenyl)propan-2-amine?
The InChIKey is CUAIZGNMAOEDSF-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14FNO2S/c1-15(13,14)10-4-2-8(3-5-10)6-9(12)7-11/h2-5,9H,6-7,12H2,1H3/t9-/m0/s1.
What are the key properties of (2S)-1-fluoro-3-(4-methylsulfonylphenyl)propan-2-amine?
(2S)-1-fluoro-3-(4-methylsulfonylphenyl)propan-2-amine has a molecular weight of 231.29 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-fluoro-3-(4-methylsulfonylphenyl)propan-2-amine is sourced from PubChem (CID 59667408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).