(1R,2S)-2-amino-3-fluoro-1-[4-(6-methylsulfonyl-3-pyridinyl)phenyl]propan-1-ol

C15H17FN2O3S — CID 71050086

IUPAC(1R,2S)-2-amino-3-fluoro-1-[4-(6-methylsulfonyl-3-pyridinyl)phenyl]propan-1-ol
SMILESCS(=O)(=O)c1ccc(-c2ccc([C@@H](O)[C@H](N)CF)cc2)cn1
InChIInChI=1S/C15H17FN2O3S/c1-22(20,21)14-7-6-12(9-18-14)10-2-4-11(5-3-10)15(19)13(17)8-16/h2-7,9,13,15,19H,8,17H2,1H3/t13-,15-/m1/s1
InChIKeyVWZPBYUJSCYKMR-UKRRQHHQSA-N
MW324.38 g/mol
LogP1.48
Rot. Bonds5

About (1R,2S)-2-amino-3-fluoro-1-[4-(6-methylsulfonyl-3-pyridinyl)phenyl]propan-1-ol

(1R,2S)-2-amino-3-fluoro-1-[4-(6-methylsulfonyl-3-pyridinyl)phenyl]propan-1-ol (PubChem CID 71050086) has the molecular formula C15H17FN2O3S and a molecular weight of 324.38 g/mol. Its IUPAC name is (1R,2S)-2-amino-3-fluoro-1-[4-(6-methylsulfonyl-3-pyridinyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-amino-3-fluoro-1-[4-(6-methylsulfonyl-3-pyridinyl)phenyl]propan-1-ol
PubChem CID71050086
Molecular FormulaC15H17FN2O3S
Molecular Weight324.38 g/mol
Exact Mass324.09
IUPAC Name(1R,2S)-2-amino-3-fluoro-1-[4-(6-methylsulfonyl-3-pyridinyl)phenyl]propan-1-ol
SMILESCS(=O)(=O)c1ccc(-c2ccc([C@@H](O)[C@H](N)CF)cc2)cn1
InChIInChI=1S/C15H17FN2O3S/c1-22(20,21)14-7-6-12(9-18-14)10-2-4-11(5-3-10)15(19)13(17)8-16/h2-7,9,13,15,19H,8,17H2,1H3/t13-,15-/m1/s1
InChIKeyVWZPBYUJSCYKMR-UKRRQHHQSA-N
XLogP1.48
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-amino-3-fluoro-1-[4-(6-methylsulfonyl-3-pyridinyl)phenyl]propan-1-ol?
The IUPAC name of (1R,2S)-2-amino-3-fluoro-1-[4-(6-methylsulfonyl-3-pyridinyl)phenyl]propan-1-ol (CID 71050086) is (1R,2S)-2-amino-3-fluoro-1-[4-(6-methylsulfonyl-3-pyridinyl)phenyl]propan-1-ol.
What is the SMILES notation for (1R,2S)-2-amino-3-fluoro-1-[4-(6-methylsulfonyl-3-pyridinyl)phenyl]propan-1-ol?
The canonical SMILES for (1R,2S)-2-amino-3-fluoro-1-[4-(6-methylsulfonyl-3-pyridinyl)phenyl]propan-1-ol is CS(=O)(=O)c1ccc(-c2ccc([C@@H](O)[C@H](N)CF)cc2)cn1.
What is the InChIKey of (1R,2S)-2-amino-3-fluoro-1-[4-(6-methylsulfonyl-3-pyridinyl)phenyl]propan-1-ol?
The InChIKey is VWZPBYUJSCYKMR-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H17FN2O3S/c1-22(20,21)14-7-6-12(9-18-14)10-2-4-11(5-3-10)15(19)13(17)8-16/h2-7,9,13,15,19H,8,17H2,1H3/t13-,15-/m1/s1.
What are the key properties of (1R,2S)-2-amino-3-fluoro-1-[4-(6-methylsulfonyl-3-pyridinyl)phenyl]propan-1-ol?
(1R,2S)-2-amino-3-fluoro-1-[4-(6-methylsulfonyl-3-pyridinyl)phenyl]propan-1-ol has a molecular weight of 324.38 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-amino-3-fluoro-1-[4-(6-methylsulfonyl-3-pyridinyl)phenyl]propan-1-ol is sourced from PubChem (CID 71050086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).