(2R,3S)-2,3-dihydroxy-4-[3-(trifluoromethyl)phenyl]sulfanylbutanamide

C11H12F3NO3S — CID 143214843

IUPAC(2R,3S)-2,3-dihydroxy-4-[3-(trifluoromethyl)phenyl]sulfanylbutanamide
SMILESNC(=O)[C@H](O)[C@H](O)CSc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H12F3NO3S/c12-11(13,14)6-2-1-3-7(4-6)19-5-8(16)9(17)10(15)18/h1-4,8-9,16-17H,5H2,(H2,15,18)/t8-,9-/m1/s1
InChIKeyOIZKZIYUDGMCQK-RKDXNWHRSA-N
MW295.28 g/mol
LogP1.00
Rot. Bonds5

About (2R,3S)-2,3-dihydroxy-4-[3-(trifluoromethyl)phenyl]sulfanylbutanamide

(2R,3S)-2,3-dihydroxy-4-[3-(trifluoromethyl)phenyl]sulfanylbutanamide (PubChem CID 143214843) has the molecular formula C11H12F3NO3S and a molecular weight of 295.28 g/mol. Its IUPAC name is (2R,3S)-2,3-dihydroxy-4-[3-(trifluoromethyl)phenyl]sulfanylbutanamide.

Molecular Properties

Compound Name(2R,3S)-2,3-dihydroxy-4-[3-(trifluoromethyl)phenyl]sulfanylbutanamide
PubChem CID143214843
Molecular FormulaC11H12F3NO3S
Molecular Weight295.28 g/mol
Exact Mass295.05
IUPAC Name(2R,3S)-2,3-dihydroxy-4-[3-(trifluoromethyl)phenyl]sulfanylbutanamide
SMILESNC(=O)[C@H](O)[C@H](O)CSc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H12F3NO3S/c12-11(13,14)6-2-1-3-7(4-6)19-5-8(16)9(17)10(15)18/h1-4,8-9,16-17H,5H2,(H2,15,18)/t8-,9-/m1/s1
InChIKeyOIZKZIYUDGMCQK-RKDXNWHRSA-N
XLogP1.00
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-Dihydroxy-4-[3-(trifluoromethyl)phenyl]sulfonylbutanamide
CID 69381937
2,3-Dihydroxy-4-sulfonylbutanamide;trifluoromethylbenzene
CID 87803505
(2R)-2-hydroxy-4-[3-(trifluoromethyl)phenyl]sulfinylbutanamide
CID 143214872
2-Hydroxy-4-(2-methylphenyl)sulfanylbutanamide
CID 68279674
(2R)-2-hydroxy-3-(4-methylphenyl)sulfanylbutanamide
CID 131851094

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2,3-dihydroxy-4-[3-(trifluoromethyl)phenyl]sulfanylbutanamide?
The IUPAC name of (2R,3S)-2,3-dihydroxy-4-[3-(trifluoromethyl)phenyl]sulfanylbutanamide (CID 143214843) is (2R,3S)-2,3-dihydroxy-4-[3-(trifluoromethyl)phenyl]sulfanylbutanamide.
What is the SMILES notation for (2R,3S)-2,3-dihydroxy-4-[3-(trifluoromethyl)phenyl]sulfanylbutanamide?
The canonical SMILES for (2R,3S)-2,3-dihydroxy-4-[3-(trifluoromethyl)phenyl]sulfanylbutanamide is NC(=O)[C@H](O)[C@H](O)CSc1cccc(C(F)(F)F)c1.
What is the InChIKey of (2R,3S)-2,3-dihydroxy-4-[3-(trifluoromethyl)phenyl]sulfanylbutanamide?
The InChIKey is OIZKZIYUDGMCQK-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H12F3NO3S/c12-11(13,14)6-2-1-3-7(4-6)19-5-8(16)9(17)10(15)18/h1-4,8-9,16-17H,5H2,(H2,15,18)/t8-,9-/m1/s1.
What are the key properties of (2R,3S)-2,3-dihydroxy-4-[3-(trifluoromethyl)phenyl]sulfanylbutanamide?
(2R,3S)-2,3-dihydroxy-4-[3-(trifluoromethyl)phenyl]sulfanylbutanamide has a molecular weight of 295.28 g/mol, XLogP of 1.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2,3-dihydroxy-4-[3-(trifluoromethyl)phenyl]sulfanylbutanamide is sourced from PubChem (CID 143214843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).