(2S)-2-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylsulfanylbutanamide

C8H16F2N2O2S — CID 106176901

IUPAC(2S)-2-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)NCC(F)(F)CO
InChIInChI=1S/C8H16F2N2O2S/c1-15-3-2-6(11)7(14)12-4-8(9,10)5-13/h6,13H,2-5,11H2,1H3,(H,12,14)/t6-/m0/s1
InChIKeyYOAMPGXOKSAGHS-LURJTMIESA-N
MW242.29 g/mol
LogP-0.19
Rot. Bonds7

About (2S)-2-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylsulfanylbutanamide

(2S)-2-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylsulfanylbutanamide (PubChem CID 106176901) has the molecular formula C8H16F2N2O2S and a molecular weight of 242.29 g/mol. Its IUPAC name is (2S)-2-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylsulfanylbutanamide
PubChem CID106176901
Molecular FormulaC8H16F2N2O2S
Molecular Weight242.29 g/mol
Exact Mass242.09
IUPAC Name(2S)-2-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)NCC(F)(F)CO
InChIInChI=1S/C8H16F2N2O2S/c1-15-3-2-6(11)7(14)12-4-8(9,10)5-13/h6,13H,2-5,11H2,1H3,(H,12,14)/t6-/m0/s1
InChIKeyYOAMPGXOKSAGHS-LURJTMIESA-N
XLogP-0.19
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylsulfanylbutanamide?
The IUPAC name of (2S)-2-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylsulfanylbutanamide (CID 106176901) is (2S)-2-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylsulfanylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylsulfanylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylsulfanylbutanamide is CSCC[C@H](N)C(=O)NCC(F)(F)CO.
What is the InChIKey of (2S)-2-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylsulfanylbutanamide?
The InChIKey is YOAMPGXOKSAGHS-LURJTMIESA-N. The full InChI is InChI=1S/C8H16F2N2O2S/c1-15-3-2-6(11)7(14)12-4-8(9,10)5-13/h6,13H,2-5,11H2,1H3,(H,12,14)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylsulfanylbutanamide?
(2S)-2-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylsulfanylbutanamide has a molecular weight of 242.29 g/mol, XLogP of -0.19, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 106176901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).