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

C11H16FNO3S — CID 71050069

IUPAC(1R,2S)-3-fluoro-1-methoxy-1-(4-methylsulfonylphenyl)propan-2-amine
SMILESCO[C@H](c1ccc(S(C)(=O)=O)cc1)[C@H](N)CF
InChIInChI=1S/C11H16FNO3S/c1-16-11(10(13)7-12)8-3-5-9(6-4-8)17(2,14)15/h3-6,10-11H,7,13H2,1-2H3/t10-,11-/m1/s1
InChIKeyUXMQMPCHQKVDOM-GHMZBOCLSA-N
MW261.32 g/mol
LogP1.07
Rot. Bonds5

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

(1R,2S)-3-fluoro-1-methoxy-1-(4-methylsulfonylphenyl)propan-2-amine (PubChem CID 71050069) has the molecular formula C11H16FNO3S and a molecular weight of 261.32 g/mol. Its IUPAC name is (1R,2S)-3-fluoro-1-methoxy-1-(4-methylsulfonylphenyl)propan-2-amine.

Molecular Properties

Compound Name(1R,2S)-3-fluoro-1-methoxy-1-(4-methylsulfonylphenyl)propan-2-amine
PubChem CID71050069
Molecular FormulaC11H16FNO3S
Molecular Weight261.32 g/mol
Exact Mass261.08
IUPAC Name(1R,2S)-3-fluoro-1-methoxy-1-(4-methylsulfonylphenyl)propan-2-amine
SMILESCO[C@H](c1ccc(S(C)(=O)=O)cc1)[C@H](N)CF
InChIInChI=1S/C11H16FNO3S/c1-16-11(10(13)7-12)8-3-5-9(6-4-8)17(2,14)15/h3-6,10-11H,7,13H2,1-2H3/t10-,11-/m1/s1
InChIKeyUXMQMPCHQKVDOM-GHMZBOCLSA-N
XLogP1.07
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-3-fluoro-1-methoxy-1-(4-methylsulfonylphenyl)propan-2-amine?
The IUPAC name of (1R,2S)-3-fluoro-1-methoxy-1-(4-methylsulfonylphenyl)propan-2-amine (CID 71050069) is (1R,2S)-3-fluoro-1-methoxy-1-(4-methylsulfonylphenyl)propan-2-amine.
What is the SMILES notation for (1R,2S)-3-fluoro-1-methoxy-1-(4-methylsulfonylphenyl)propan-2-amine?
The canonical SMILES for (1R,2S)-3-fluoro-1-methoxy-1-(4-methylsulfonylphenyl)propan-2-amine is CO[C@H](c1ccc(S(C)(=O)=O)cc1)[C@H](N)CF.
What is the InChIKey of (1R,2S)-3-fluoro-1-methoxy-1-(4-methylsulfonylphenyl)propan-2-amine?
The InChIKey is UXMQMPCHQKVDOM-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H16FNO3S/c1-16-11(10(13)7-12)8-3-5-9(6-4-8)17(2,14)15/h3-6,10-11H,7,13H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of (1R,2S)-3-fluoro-1-methoxy-1-(4-methylsulfonylphenyl)propan-2-amine?
(1R,2S)-3-fluoro-1-methoxy-1-(4-methylsulfonylphenyl)propan-2-amine has a molecular weight of 261.32 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-3-fluoro-1-methoxy-1-(4-methylsulfonylphenyl)propan-2-amine is sourced from PubChem (CID 71050069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).