(2S)-2-amino-N-(2,2-difluoroethyl)-N-methyl-4-methylsulfanylbutanamide

C8H16F2N2OS — CID 103795919

IUPAC(2S)-2-amino-N-(2,2-difluoroethyl)-N-methyl-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)N(C)CC(F)F
InChIInChI=1S/C8H16F2N2OS/c1-12(5-7(9)10)8(13)6(11)3-4-14-2/h6-7H,3-5,11H2,1-2H3/t6-/m0/s1
InChIKeyWCLBFMCPTSSKAO-LURJTMIESA-N
MW226.29 g/mol
LogP0.79
Rot. Bonds6

About (2S)-2-amino-N-(2,2-difluoroethyl)-N-methyl-4-methylsulfanylbutanamide

(2S)-2-amino-N-(2,2-difluoroethyl)-N-methyl-4-methylsulfanylbutanamide (PubChem CID 103795919) has the molecular formula C8H16F2N2OS and a molecular weight of 226.29 g/mol. Its IUPAC name is (2S)-2-amino-N-(2,2-difluoroethyl)-N-methyl-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2,2-difluoroethyl)-N-methyl-4-methylsulfanylbutanamide
PubChem CID103795919
Molecular FormulaC8H16F2N2OS
Molecular Weight226.29 g/mol
Exact Mass226.10
IUPAC Name(2S)-2-amino-N-(2,2-difluoroethyl)-N-methyl-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)N(C)CC(F)F
InChIInChI=1S/C8H16F2N2OS/c1-12(5-7(9)10)8(13)6(11)3-4-14-2/h6-7H,3-5,11H2,1-2H3/t6-/m0/s1
InChIKeyWCLBFMCPTSSKAO-LURJTMIESA-N
XLogP0.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-N-(2,2-difluoroethyl)-N-methyl-4-methylsulfanylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-N-(2-hydroxypropyl)-N-methyl-4-methylsulfanylbutanamide
CID 104908350
(2S)-2-amino-N-ethyl-N-methyl-4-methylsulfanylbutanamide
CID 61154496
(2S)-2-amino-N-methyl-N-(3-methylbutyl)-4-methylsulfanylbutanamide
CID 61165499
(2S)-2-amino-N-[3-(dimethylamino)propyl]-N-methyl-4-methylsulfanylbutanamide
CID 63693500
(2R)-2-amino-N-(2,2-difluoroethyl)-N,4-dimethylpentanamide
CID 104904051
(2R)-2-amino-N-methoxy-N-methyl-4-methylsulfanylbutanamide
CID 104908209
(2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-4-methylsulfanylbutanamide
CID 104863936
(2R)-2-amino-N-methyl-N-(2-methylbutan-2-yl)-4-methylsulfanylbutanamide
CID 104908509
(2S)-2-amino-N-methyl-4-methylsulfanyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanamide
CID 61165285
CID 172908207
CID 172908207
(2S)-2-amino-4-methylsulfanylbutanoic acid;copper
CID 87289409
(2R)-2-amino-N-(2-methylpropyl)-4-methylsulfanyl-N-propan-2-ylbutanamide
CID 104907733

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2,2-difluoroethyl)-N-methyl-4-methylsulfanylbutanamide?
The IUPAC name of (2S)-2-amino-N-(2,2-difluoroethyl)-N-methyl-4-methylsulfanylbutanamide (CID 103795919) is (2S)-2-amino-N-(2,2-difluoroethyl)-N-methyl-4-methylsulfanylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(2,2-difluoroethyl)-N-methyl-4-methylsulfanylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(2,2-difluoroethyl)-N-methyl-4-methylsulfanylbutanamide is CSCC[C@H](N)C(=O)N(C)CC(F)F.
What is the InChIKey of (2S)-2-amino-N-(2,2-difluoroethyl)-N-methyl-4-methylsulfanylbutanamide?
The InChIKey is WCLBFMCPTSSKAO-LURJTMIESA-N. The full InChI is InChI=1S/C8H16F2N2OS/c1-12(5-7(9)10)8(13)6(11)3-4-14-2/h6-7H,3-5,11H2,1-2H3/t6-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2,2-difluoroethyl)-N-methyl-4-methylsulfanylbutanamide?
(2S)-2-amino-N-(2,2-difluoroethyl)-N-methyl-4-methylsulfanylbutanamide has a molecular weight of 226.29 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2,2-difluoroethyl)-N-methyl-4-methylsulfanylbutanamide is sourced from PubChem (CID 103795919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).