(1R)-2-amino-3-fluoro-1-[4-(methylsulfonimidoyl)phenyl]propan-1-ol

C10H15FN2O2S — CID 134222109

IUPAC(1R)-2-amino-3-fluoro-1-[4-(methylsulfonimidoyl)phenyl]propan-1-ol
SMILES[H]N=S(C)(=O)c1ccc([C@@H](O)C(N)CF)cc1
InChIInChI=1S/C10H15FN2O2S/c1-16(13,15)8-4-2-7(3-5-8)10(14)9(12)6-11/h2-5,9-10,13-14H,6,12H2,1H3/t9?,10-,16?/m1/s1
InChIKeyJBEZLEVYMRYXPQ-IAZHFHGHSA-N
MW246.31 g/mol
LogP1.05
Rot. Bonds4

About (1R)-2-amino-3-fluoro-1-[4-(methylsulfonimidoyl)phenyl]propan-1-ol

(1R)-2-amino-3-fluoro-1-[4-(methylsulfonimidoyl)phenyl]propan-1-ol (PubChem CID 134222109) has the molecular formula C10H15FN2O2S and a molecular weight of 246.31 g/mol. Its IUPAC name is (1R)-2-amino-3-fluoro-1-[4-(methylsulfonimidoyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name(1R)-2-amino-3-fluoro-1-[4-(methylsulfonimidoyl)phenyl]propan-1-ol
PubChem CID134222109
Molecular FormulaC10H15FN2O2S
Molecular Weight246.31 g/mol
Exact Mass246.08
IUPAC Name(1R)-2-amino-3-fluoro-1-[4-(methylsulfonimidoyl)phenyl]propan-1-ol
SMILES[H]N=S(C)(=O)c1ccc([C@@H](O)C(N)CF)cc1
InChIInChI=1S/C10H15FN2O2S/c1-16(13,15)8-4-2-7(3-5-8)10(14)9(12)6-11/h2-5,9-10,13-14H,6,12H2,1H3/t9?,10-,16?/m1/s1
InChIKeyJBEZLEVYMRYXPQ-IAZHFHGHSA-N
XLogP1.05
TPSA87.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-ol
CID 69143338
(1R,2S)-2-amino-1-(4-methylsulfonylphenyl)propane-1,3-diol
CID 12936087
N-[(1R)-1-[4-[4-[(1R,2S)-2-amino-3-fluoro-1-hydroxypropyl]phenyl]phenyl]ethyl]methanesulfonamide
CID 163970915
2-amino-1-(4-ethylphenyl)-3-fluoropropan-1-ol
CID 123193728
(3R,4S)-3-amino-4-hydroxy-4-(4-methylsulfonylphenyl)butanoic acid
CID 171777382
(1S,2R)-2-amino-3-fluoro-1-(4-iodophenyl)propan-1-ol
CID 124657692
(1R,2S)-3-fluoro-2-methyl-1-(4-methylsulfonylphenyl)propan-1-ol
CID 59667462
(1R,2S)-2-amino-1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-3-fluoropropan-1-ol
CID 71050351
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
2-chloro-N-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]acetamide
CID 14597706

Frequently Asked Questions

What is the IUPAC name of (1R)-2-amino-3-fluoro-1-[4-(methylsulfonimidoyl)phenyl]propan-1-ol?
The IUPAC name of (1R)-2-amino-3-fluoro-1-[4-(methylsulfonimidoyl)phenyl]propan-1-ol (CID 134222109) is (1R)-2-amino-3-fluoro-1-[4-(methylsulfonimidoyl)phenyl]propan-1-ol.
What is the SMILES notation for (1R)-2-amino-3-fluoro-1-[4-(methylsulfonimidoyl)phenyl]propan-1-ol?
The canonical SMILES for (1R)-2-amino-3-fluoro-1-[4-(methylsulfonimidoyl)phenyl]propan-1-ol is [H]N=S(C)(=O)c1ccc([C@@H](O)C(N)CF)cc1.
What is the InChIKey of (1R)-2-amino-3-fluoro-1-[4-(methylsulfonimidoyl)phenyl]propan-1-ol?
The InChIKey is JBEZLEVYMRYXPQ-IAZHFHGHSA-N. The full InChI is InChI=1S/C10H15FN2O2S/c1-16(13,15)8-4-2-7(3-5-8)10(14)9(12)6-11/h2-5,9-10,13-14H,6,12H2,1H3/t9?,10-,16?/m1/s1.
What are the key properties of (1R)-2-amino-3-fluoro-1-[4-(methylsulfonimidoyl)phenyl]propan-1-ol?
(1R)-2-amino-3-fluoro-1-[4-(methylsulfonimidoyl)phenyl]propan-1-ol has a molecular weight of 246.31 g/mol, XLogP of 1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-amino-3-fluoro-1-[4-(methylsulfonimidoyl)phenyl]propan-1-ol is sourced from PubChem (CID 134222109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).