(2S)-2-amino-N-cyclopropyl-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide

C10H17F3N2OS — CID 55008637

IUPAC(2S)-2-amino-N-cyclopropyl-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCSCC[C@H](N)C(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H17F3N2OS/c1-17-5-4-8(14)9(16)15(7-2-3-7)6-10(11,12)13/h7-8H,2-6,14H2,1H3/t8-/m0/s1
InChIKeyOXIDXHFXNFPGSJ-QMMMGPOBSA-N
MW270.32 g/mol
LogP1.62
Rot. Bonds6

About (2S)-2-amino-N-cyclopropyl-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide

(2S)-2-amino-N-cyclopropyl-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 55008637) has the molecular formula C10H17F3N2OS and a molecular weight of 270.32 g/mol. Its IUPAC name is (2S)-2-amino-N-cyclopropyl-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-cyclopropyl-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID55008637
Molecular FormulaC10H17F3N2OS
Molecular Weight270.32 g/mol
Exact Mass270.10
IUPAC Name(2S)-2-amino-N-cyclopropyl-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCSCC[C@H](N)C(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H17F3N2OS/c1-17-5-4-8(14)9(16)15(7-2-3-7)6-10(11,12)13/h7-8H,2-6,14H2,1H3/t8-/m0/s1
InChIKeyOXIDXHFXNFPGSJ-QMMMGPOBSA-N
XLogP1.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-cyclopropyl-4-(4,4,4-trifluorobutylsulfonimidoyl)butanamide
CID 170770283
2-acetamido-N,N-dimethyl-4-(methylsulfanyl)butanamide
CID 5245532
(2S)-2-amino-N-(1-ethylsulfanylpropan-2-yl)-N-methylbutanamide
CID 121522565
2-amino-4-methylsulfanyl-N-(3,4,4-trifluorobut-3-enyl)butanamide
CID 19379992
N-(1,1-difluoro-4-methylsulfanylbutan-2-yl)butanamide
CID 22752139
(2S)-2-amino-4-methylsulfanyl-N-(3,4,4-trifluorobut-3-enyl)butanamide
CID 54423944
2-amino-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide
CID 76892736
(2R)-2-amino-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide
CID 104906864
(2R)-2-amino-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride
CID 130236586
2-amino-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride
CID 130236588
2-amino-4-(3,3-dimethylbutylsulfanyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 170770464
2-amino-N-butyl-4-(4,4,4-trifluorobutylsulfanyl)butanamide
CID 170770590

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-cyclopropyl-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of (2S)-2-amino-N-cyclopropyl-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide (CID 55008637) is (2S)-2-amino-N-cyclopropyl-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for (2S)-2-amino-N-cyclopropyl-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for (2S)-2-amino-N-cyclopropyl-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide is CSCC[C@H](N)C(=O)N(CC(F)(F)F)C1CC1.
What is the InChIKey of (2S)-2-amino-N-cyclopropyl-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is OXIDXHFXNFPGSJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17F3N2OS/c1-17-5-4-8(14)9(16)15(7-2-3-7)6-10(11,12)13/h7-8H,2-6,14H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-2-amino-N-cyclopropyl-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide?
(2S)-2-amino-N-cyclopropyl-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 270.32 g/mol, XLogP of 1.62, 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-cyclopropyl-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 55008637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).