(2S)-1-fluoro-3-phenyl-1-phenylsulfanylpropan-2-amine

C15H16FNS — CID 10999835

IUPAC(2S)-1-fluoro-3-phenyl-1-phenylsulfanylpropan-2-amine
SMILESN[C@@H](Cc1ccccc1)C(F)Sc1ccccc1
InChIInChI=1S/C15H16FNS/c16-15(18-13-9-5-2-6-10-13)14(17)11-12-7-3-1-4-8-12/h1-10,14-15H,11,17H2/t14-,15?/m0/s1
InChIKeyGWQHGNCWQGBSTA-MLCCFXAWSA-N
MW261.37 g/mol
LogP3.64
Rot. Bonds5

About (2S)-1-fluoro-3-phenyl-1-phenylsulfanylpropan-2-amine

(2S)-1-fluoro-3-phenyl-1-phenylsulfanylpropan-2-amine (PubChem CID 10999835) has the molecular formula C15H16FNS and a molecular weight of 261.37 g/mol. Its IUPAC name is (2S)-1-fluoro-3-phenyl-1-phenylsulfanylpropan-2-amine.

Molecular Properties

Compound Name(2S)-1-fluoro-3-phenyl-1-phenylsulfanylpropan-2-amine
PubChem CID10999835
Molecular FormulaC15H16FNS
Molecular Weight261.37 g/mol
Exact Mass261.10
IUPAC Name(2S)-1-fluoro-3-phenyl-1-phenylsulfanylpropan-2-amine
SMILESN[C@@H](Cc1ccccc1)C(F)Sc1ccccc1
InChIInChI=1S/C15H16FNS/c16-15(18-13-9-5-2-6-10-13)14(17)11-12-7-3-1-4-8-12/h1-10,14-15H,11,17H2/t14-,15?/m0/s1
InChIKeyGWQHGNCWQGBSTA-MLCCFXAWSA-N
XLogP3.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-fluoro-3-phenyl-1-phenylsulfanylpropan-2-amine?
The IUPAC name of (2S)-1-fluoro-3-phenyl-1-phenylsulfanylpropan-2-amine (CID 10999835) is (2S)-1-fluoro-3-phenyl-1-phenylsulfanylpropan-2-amine.
What is the SMILES notation for (2S)-1-fluoro-3-phenyl-1-phenylsulfanylpropan-2-amine?
The canonical SMILES for (2S)-1-fluoro-3-phenyl-1-phenylsulfanylpropan-2-amine is N[C@@H](Cc1ccccc1)C(F)Sc1ccccc1.
What is the InChIKey of (2S)-1-fluoro-3-phenyl-1-phenylsulfanylpropan-2-amine?
The InChIKey is GWQHGNCWQGBSTA-MLCCFXAWSA-N. The full InChI is InChI=1S/C15H16FNS/c16-15(18-13-9-5-2-6-10-13)14(17)11-12-7-3-1-4-8-12/h1-10,14-15H,11,17H2/t14-,15?/m0/s1.
What are the key properties of (2S)-1-fluoro-3-phenyl-1-phenylsulfanylpropan-2-amine?
(2S)-1-fluoro-3-phenyl-1-phenylsulfanylpropan-2-amine has a molecular weight of 261.37 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-fluoro-3-phenyl-1-phenylsulfanylpropan-2-amine is sourced from PubChem (CID 10999835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).