(2R)-3-(4-cyano-3-fluorophenyl)sulfanyl-2-hydroxypropanamide

C10H9FN2O2S — CID 143421569

IUPAC(2R)-3-(4-cyano-3-fluorophenyl)sulfanyl-2-hydroxypropanamide
SMILESN#Cc1ccc(SC[C@H](O)C(N)=O)cc1F
InChIInChI=1S/C10H9FN2O2S/c11-8-3-7(2-1-6(8)4-12)16-5-9(14)10(13)15/h1-3,9,14H,5H2,(H2,13,15)/t9-/m0/s1
InChIKeyIHQUIURLIRYGAT-VIFPVBQESA-N
MW240.26 g/mol
LogP0.64
Rot. Bonds4

About (2R)-3-(4-cyano-3-fluorophenyl)sulfanyl-2-hydroxypropanamide

(2R)-3-(4-cyano-3-fluorophenyl)sulfanyl-2-hydroxypropanamide (PubChem CID 143421569) has the molecular formula C10H9FN2O2S and a molecular weight of 240.26 g/mol. Its IUPAC name is (2R)-3-(4-cyano-3-fluorophenyl)sulfanyl-2-hydroxypropanamide.

Molecular Properties

Compound Name(2R)-3-(4-cyano-3-fluorophenyl)sulfanyl-2-hydroxypropanamide
PubChem CID143421569
Molecular FormulaC10H9FN2O2S
Molecular Weight240.26 g/mol
Exact Mass240.04
IUPAC Name(2R)-3-(4-cyano-3-fluorophenyl)sulfanyl-2-hydroxypropanamide
SMILESN#Cc1ccc(SC[C@H](O)C(N)=O)cc1F
InChIInChI=1S/C10H9FN2O2S/c11-8-3-7(2-1-6(8)4-12)16-5-9(14)10(13)15/h1-3,9,14H,5H2,(H2,13,15)/t9-/m0/s1
InChIKeyIHQUIURLIRYGAT-VIFPVBQESA-N
XLogP0.64
TPSA87.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Fluoro-4-(2-hydroxyethylsulfanyl)benzonitrile
CID 17796680
2-(4-Cyano-2-fluorophenyl)sulfanyl-2-methylpropanamide
CID 70666047
2-(4-Cyano-2-fluorophenyl)sulfanylpropanamide
CID 71999554
4-(2,3-Dihydroxypropylsulfanyl)-3-fluorobenzonitrile
CID 79014855
(2S)-2-(4-cyano-2-fluorophenyl)sulfanylpropanamide
CID 97572900
(2R)-2-(4-cyano-2-fluorophenyl)sulfanylpropanamide
CID 97572901
3-Fluoro-4-(3-hydroxybutan-2-ylsulfanyl)benzonitrile
CID 107770608
2-(4-Cyano-2-fluorophenyl)sulfanylacetamide
CID 130160378
(2R)-3-(4-cyano-3-fluorophenyl)sulfanyl-2-hydroxypropanamide;ethane
CID 143421568
2-Hydroxy-3-(2-methylphenyl)sulfanylpropanamide
CID 154364693
(2S)-2-hydroxy-3-[(R)-(4-methylphenyl)sulfinyl]propanamide
CID 10966231
(2S,3R)-2-hydroxy-3-[(R)-(4-methylphenyl)sulfinyl]butanamide
CID 11064553

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-cyano-3-fluorophenyl)sulfanyl-2-hydroxypropanamide?
The IUPAC name of (2R)-3-(4-cyano-3-fluorophenyl)sulfanyl-2-hydroxypropanamide (CID 143421569) is (2R)-3-(4-cyano-3-fluorophenyl)sulfanyl-2-hydroxypropanamide.
What is the SMILES notation for (2R)-3-(4-cyano-3-fluorophenyl)sulfanyl-2-hydroxypropanamide?
The canonical SMILES for (2R)-3-(4-cyano-3-fluorophenyl)sulfanyl-2-hydroxypropanamide is N#Cc1ccc(SC[C@H](O)C(N)=O)cc1F.
What is the InChIKey of (2R)-3-(4-cyano-3-fluorophenyl)sulfanyl-2-hydroxypropanamide?
The InChIKey is IHQUIURLIRYGAT-VIFPVBQESA-N. The full InChI is InChI=1S/C10H9FN2O2S/c11-8-3-7(2-1-6(8)4-12)16-5-9(14)10(13)15/h1-3,9,14H,5H2,(H2,13,15)/t9-/m0/s1.
What are the key properties of (2R)-3-(4-cyano-3-fluorophenyl)sulfanyl-2-hydroxypropanamide?
(2R)-3-(4-cyano-3-fluorophenyl)sulfanyl-2-hydroxypropanamide has a molecular weight of 240.26 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-cyano-3-fluorophenyl)sulfanyl-2-hydroxypropanamide is sourced from PubChem (CID 143421569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).