(2S)-2-amino-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-ol

C10H14FNO3S — CID 69143338

IUPAC(2S)-2-amino-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-ol
SMILESCS(=O)(=O)c1ccc(C(O)[C@H](N)CF)cc1
InChIInChI=1S/C10H14FNO3S/c1-16(14,15)8-4-2-7(3-5-8)10(13)9(12)6-11/h2-5,9-10,13H,6,12H2,1H3/t9-,10?/m1/s1
InChIKeyXLSYLQDVLAXIKK-YHMJZVADSA-N
MW247.29 g/mol
LogP0.42
Rot. Bonds4

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

(2S)-2-amino-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-ol (PubChem CID 69143338) has the molecular formula C10H14FNO3S and a molecular weight of 247.29 g/mol. Its IUPAC name is (2S)-2-amino-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-ol
PubChem CID69143338
Molecular FormulaC10H14FNO3S
Molecular Weight247.29 g/mol
Exact Mass247.07
IUPAC Name(2S)-2-amino-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-ol
SMILESCS(=O)(=O)c1ccc(C(O)[C@H](N)CF)cc1
InChIInChI=1S/C10H14FNO3S/c1-16(14,15)8-4-2-7(3-5-8)10(13)9(12)6-11/h2-5,9-10,13H,6,12H2,1H3/t9-,10?/m1/s1
InChIKeyXLSYLQDVLAXIKK-YHMJZVADSA-N
XLogP0.42
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-2-amino-3-fluoro-1-[4-(methylsulfonimidoyl)phenyl]propan-1-ol
CID 134222109
(1R,2S)-2-amino-1-(4-methylsulfonylphenyl)propane-1,3-diol
CID 12936087
(3R,4S)-3-amino-4-hydroxy-4-(4-methylsulfonylphenyl)butanoic acid
CID 171777382
(1R,2S)-3-fluoro-2-methyl-1-(4-methylsulfonylphenyl)propan-1-ol
CID 59667462
amino-(4-methylsulfonylphenyl)methanol
CID 116939660
(2S,3R)-2-amino-3-hydroxy-3-(4-methylsulfonylphenyl)propanoic acid
CID 67747060
2-ethyl-1-(4-methylsulfonylphenyl)butan-1-ol
CID 115821895
N-[(1R)-1-[4-[4-[(1R,2S)-2-amino-3-fluoro-1-hydroxypropyl]phenyl]phenyl]ethyl]methanesulfonamide
CID 163970915
[(1S)-3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]carbamic acid
CID 175773285
2-amino-1-(4-ethylphenyl)-3-fluoropropan-1-ol
CID 123193728
(1R)-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride
CID 171198397
(1S,2R)-2-amino-3-fluoro-1-(4-iodophenyl)propan-1-ol
CID 124657692

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-ol?
The IUPAC name of (2S)-2-amino-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-ol (CID 69143338) is (2S)-2-amino-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-ol.
What is the SMILES notation for (2S)-2-amino-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-ol?
The canonical SMILES for (2S)-2-amino-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-ol is CS(=O)(=O)c1ccc(C(O)[C@H](N)CF)cc1.
What is the InChIKey of (2S)-2-amino-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-ol?
The InChIKey is XLSYLQDVLAXIKK-YHMJZVADSA-N. The full InChI is InChI=1S/C10H14FNO3S/c1-16(14,15)8-4-2-7(3-5-8)10(13)9(12)6-11/h2-5,9-10,13H,6,12H2,1H3/t9-,10?/m1/s1.
What are the key properties of (2S)-2-amino-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-ol?
(2S)-2-amino-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-ol has a molecular weight of 247.29 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-ol is sourced from PubChem (CID 69143338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).