(2S)-2-amino-N-(2-fluoro-2-phenylsulfanylethyl)propanamide

C11H15FN2OS — CID 11791360

IUPAC(2S)-2-amino-N-(2-fluoro-2-phenylsulfanylethyl)propanamide
SMILESC[C@H](N)C(=O)NCC(F)Sc1ccccc1
InChIInChI=1S/C11H15FN2OS/c1-8(13)11(15)14-7-10(12)16-9-5-3-2-4-6-9/h2-6,8,10H,7,13H2,1H3,(H,14,15)/t8-,10?/m0/s1
InChIKeyQPNZMZMOGBAVGG-PEHGTWAWSA-N
MW242.32 g/mol
LogP1.54
Rot. Bonds5

About (2S)-2-amino-N-(2-fluoro-2-phenylsulfanylethyl)propanamide

(2S)-2-amino-N-(2-fluoro-2-phenylsulfanylethyl)propanamide (PubChem CID 11791360) has the molecular formula C11H15FN2OS and a molecular weight of 242.32 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-fluoro-2-phenylsulfanylethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-fluoro-2-phenylsulfanylethyl)propanamide
PubChem CID11791360
Molecular FormulaC11H15FN2OS
Molecular Weight242.32 g/mol
Exact Mass242.09
IUPAC Name(2S)-2-amino-N-(2-fluoro-2-phenylsulfanylethyl)propanamide
SMILESC[C@H](N)C(=O)NCC(F)Sc1ccccc1
InChIInChI=1S/C11H15FN2OS/c1-8(13)11(15)14-7-10(12)16-9-5-3-2-4-6-9/h2-6,8,10H,7,13H2,1H3,(H,14,15)/t8-,10?/m0/s1
InChIKeyQPNZMZMOGBAVGG-PEHGTWAWSA-N
XLogP1.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-fluoro-2-phenylsulfanylethyl)propanamide?
The IUPAC name of (2S)-2-amino-N-(2-fluoro-2-phenylsulfanylethyl)propanamide (CID 11791360) is (2S)-2-amino-N-(2-fluoro-2-phenylsulfanylethyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-fluoro-2-phenylsulfanylethyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(2-fluoro-2-phenylsulfanylethyl)propanamide is C[C@H](N)C(=O)NCC(F)Sc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-(2-fluoro-2-phenylsulfanylethyl)propanamide?
The InChIKey is QPNZMZMOGBAVGG-PEHGTWAWSA-N. The full InChI is InChI=1S/C11H15FN2OS/c1-8(13)11(15)14-7-10(12)16-9-5-3-2-4-6-9/h2-6,8,10H,7,13H2,1H3,(H,14,15)/t8-,10?/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-fluoro-2-phenylsulfanylethyl)propanamide?
(2S)-2-amino-N-(2-fluoro-2-phenylsulfanylethyl)propanamide has a molecular weight of 242.32 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-fluoro-2-phenylsulfanylethyl)propanamide is sourced from PubChem (CID 11791360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).