(2R)-2-amino-4-methylsulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]butanamide

C11H14F3N3OS — CID 104908933

IUPAC(2R)-2-amino-4-methylsulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]butanamide
SMILESCSCC[C@@H](N)C(=O)Nc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C11H14F3N3OS/c1-19-5-4-8(15)10(18)17-7-2-3-9(16-6-7)11(12,13)14/h2-3,6,8H,4-5,15H2,1H3,(H,17,18)/t8-/m1/s1
InChIKeyGGKCZXTUMXOZAZ-MRVPVSSYSA-N
MW293.31 g/mol
LogP2.12
Rot. Bonds5

About (2R)-2-amino-4-methylsulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]butanamide

(2R)-2-amino-4-methylsulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]butanamide (PubChem CID 104908933) has the molecular formula C11H14F3N3OS and a molecular weight of 293.31 g/mol. Its IUPAC name is (2R)-2-amino-4-methylsulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]butanamide.

Molecular Properties

Compound Name(2R)-2-amino-4-methylsulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]butanamide
PubChem CID104908933
Molecular FormulaC11H14F3N3OS
Molecular Weight293.31 g/mol
Exact Mass293.08
IUPAC Name(2R)-2-amino-4-methylsulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]butanamide
SMILESCSCC[C@@H](N)C(=O)Nc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C11H14F3N3OS/c1-19-5-4-8(15)10(18)17-7-2-3-9(16-6-7)11(12,13)14/h2-3,6,8H,4-5,15H2,1H3,(H,17,18)/t8-/m1/s1
InChIKeyGGKCZXTUMXOZAZ-MRVPVSSYSA-N
XLogP2.12
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(6-chloro-3-pyridinyl)-4-methylsulfanylbutanamide
CID 81425127
5-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]pyridine-2-carboxylic acid
CID 104908861
(2R)-2-amino-N-(6-methoxy-3-pyridinyl)-4-methylsulfanylbutanamide
CID 104906808
(2S)-2-amino-4-methylsulfanyl-N-(6-methylsulfonyl-3-pyridinyl)butanamide;dihydrochloride
CID 119854939
2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 82706557
(2S)-2-amino-4-methylsulfanyl-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 61149114
(2S)-2-amino-N-[4-(difluoromethylsulfonyl)phenyl]-4-methylsulfanylbutanamide
CID 61179801
(2S)-2-amino-4-methylsulfanyl-N-pyridin-4-ylbutanamide
CID 61148006
ethyl N-[4-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]phenyl]carbamate
CID 104907269
(2S)-2-amino-4-methylsulfanyl-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]butanamide
CID 119303399
(2S)-2-amino-4-methylsulfanyl-N-[4-(propanoylamino)phenyl]butanamide
CID 61179133
2-carbamothioyl-N-[6-(trifluoromethyl)-3-pyridinyl]pentanamide
CID 82817487

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methylsulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]butanamide?
The IUPAC name of (2R)-2-amino-4-methylsulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]butanamide (CID 104908933) is (2R)-2-amino-4-methylsulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]butanamide.
What is the SMILES notation for (2R)-2-amino-4-methylsulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]butanamide?
The canonical SMILES for (2R)-2-amino-4-methylsulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]butanamide is CSCC[C@@H](N)C(=O)Nc1ccc(C(F)(F)F)nc1.
What is the InChIKey of (2R)-2-amino-4-methylsulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]butanamide?
The InChIKey is GGKCZXTUMXOZAZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14F3N3OS/c1-19-5-4-8(15)10(18)17-7-2-3-9(16-6-7)11(12,13)14/h2-3,6,8H,4-5,15H2,1H3,(H,17,18)/t8-/m1/s1.
What are the key properties of (2R)-2-amino-4-methylsulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]butanamide?
(2R)-2-amino-4-methylsulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]butanamide has a molecular weight of 293.31 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-methylsulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]butanamide is sourced from PubChem (CID 104908933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).