(2S)-4-methylsulfanyl-2-(trifluoromethylsulfonylamino)butanamide

C6H11F3N2O3S2 — CID 22088496

IUPAC(2S)-4-methylsulfanyl-2-(trifluoromethylsulfonylamino)butanamide
SMILESCSCC[C@H](NS(=O)(=O)C(F)(F)F)C(N)=O
InChIInChI=1S/C6H11F3N2O3S2/c1-15-3-2-4(5(10)12)11-16(13,14)6(7,8)9/h4,11H,2-3H2,1H3,(H2,10,12)/t4-/m0/s1
InChIKeyNMVOUCWEUVXTSU-BYPYZUCNSA-N
MW280.29 g/mol
LogP0.03
Rot. Bonds6

About (2S)-4-methylsulfanyl-2-(trifluoromethylsulfonylamino)butanamide

(2S)-4-methylsulfanyl-2-(trifluoromethylsulfonylamino)butanamide (PubChem CID 22088496) has the molecular formula C6H11F3N2O3S2 and a molecular weight of 280.29 g/mol. Its IUPAC name is (2S)-4-methylsulfanyl-2-(trifluoromethylsulfonylamino)butanamide.

Molecular Properties

Compound Name(2S)-4-methylsulfanyl-2-(trifluoromethylsulfonylamino)butanamide
PubChem CID22088496
Molecular FormulaC6H11F3N2O3S2
Molecular Weight280.29 g/mol
Exact Mass280.02
IUPAC Name(2S)-4-methylsulfanyl-2-(trifluoromethylsulfonylamino)butanamide
SMILESCSCC[C@H](NS(=O)(=O)C(F)(F)F)C(N)=O
InChIInChI=1S/C6H11F3N2O3S2/c1-15-3-2-4(5(10)12)11-16(13,14)6(7,8)9/h4,11H,2-3H2,1H3,(H2,10,12)/t4-/m0/s1
InChIKeyNMVOUCWEUVXTSU-BYPYZUCNSA-N
XLogP0.03
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 18474632
[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]methylphosphonic acid
CID 75241670
4-methylsulfanyl-2-(2-sulfanylethylamino)butanamide
CID 23177233
4-methylsulfanyl-2-(trifluoromethylamino)butanoic acid
CID 87668434
methyl 4-methylsulfanyl-2-(2,2,2-trifluoroethylamino)butanoate
CID 60997986
2-(ethylsulfonylamino)-4-methylsulfanylbutanoic acid
CID 4961765
(2R)-2-(3-methoxypropylsulfonylamino)-4-methylsulfanylbutanoic acid
CID 104906657
methyl (2S)-2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-4-methylsulfanylbutanoate
CID 2736110
(2R)-4-hydroxy-2-(trifluoromethylsulfonylamino)butanoic acid
CID 107824076
(2S)-2-[[(2S)-2-(methylamino)propanethioyl]amino]-4-methylsulfanylbutanamide
CID 155137513
(2S)-4-methylsulfanyl-2-[(4-propan-2-yloxynaphthalen-1-yl)sulfonylamino]butanamide
CID 154866120
N-[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 6993422

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methylsulfanyl-2-(trifluoromethylsulfonylamino)butanamide?
The IUPAC name of (2S)-4-methylsulfanyl-2-(trifluoromethylsulfonylamino)butanamide (CID 22088496) is (2S)-4-methylsulfanyl-2-(trifluoromethylsulfonylamino)butanamide.
What is the SMILES notation for (2S)-4-methylsulfanyl-2-(trifluoromethylsulfonylamino)butanamide?
The canonical SMILES for (2S)-4-methylsulfanyl-2-(trifluoromethylsulfonylamino)butanamide is CSCC[C@H](NS(=O)(=O)C(F)(F)F)C(N)=O.
What is the InChIKey of (2S)-4-methylsulfanyl-2-(trifluoromethylsulfonylamino)butanamide?
The InChIKey is NMVOUCWEUVXTSU-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H11F3N2O3S2/c1-15-3-2-4(5(10)12)11-16(13,14)6(7,8)9/h4,11H,2-3H2,1H3,(H2,10,12)/t4-/m0/s1.
What are the key properties of (2S)-4-methylsulfanyl-2-(trifluoromethylsulfonylamino)butanamide?
(2S)-4-methylsulfanyl-2-(trifluoromethylsulfonylamino)butanamide has a molecular weight of 280.29 g/mol, XLogP of 0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methylsulfanyl-2-(trifluoromethylsulfonylamino)butanamide is sourced from PubChem (CID 22088496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).