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

C7H13F3N2OS — CID 76892736

IUPAC2-amino-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCSCCC(N)C(=O)NCC(F)(F)F
InChIInChI=1S/C7H13F3N2OS/c1-14-3-2-5(11)6(13)12-4-7(8,9)10/h5H,2-4,11H2,1H3,(H,12,13)
InChIKeyHIZDPIDIVDCLHM-UHFFFAOYSA-N
MW230.25 g/mol
LogP0.75
Rot. Bonds5

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

2-amino-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 76892736) has the molecular formula C7H13F3N2OS and a molecular weight of 230.25 g/mol. Its IUPAC name is 2-amino-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name2-amino-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID76892736
Molecular FormulaC7H13F3N2OS
Molecular Weight230.25 g/mol
Exact Mass230.07
IUPAC Name2-amino-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCSCCC(N)C(=O)NCC(F)(F)F
InChIInChI=1S/C7H13F3N2OS/c1-14-3-2-5(11)6(13)12-4-7(8,9)10/h5H,2-4,11H2,1H3,(H,12,13)
InChIKeyHIZDPIDIVDCLHM-UHFFFAOYSA-N
XLogP0.75
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 2-amino-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide (CID 76892736) is 2-amino-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 2-amino-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 2-amino-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide is CSCCC(N)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-amino-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is HIZDPIDIVDCLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2OS/c1-14-3-2-5(11)6(13)12-4-7(8,9)10/h5H,2-4,11H2,1H3,(H,12,13).
What are the key properties of 2-amino-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide?
2-amino-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 230.25 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 76892736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).