2-amino-N-methyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide

C8H15F3N2O3S — CID 60891002

IUPAC2-amino-N-methyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCN(CC(F)(F)F)C(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C8H15F3N2O3S/c1-13(5-8(9,10)11)7(14)6(12)3-4-17(2,15)16/h6H,3-5,12H2,1-2H3
InChIKeyPSQAZGYWSKTCHX-UHFFFAOYSA-N
MW276.28 g/mol
LogP-0.23
Rot. Bonds5

About 2-amino-N-methyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide

2-amino-N-methyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 60891002) has the molecular formula C8H15F3N2O3S and a molecular weight of 276.28 g/mol. Its IUPAC name is 2-amino-N-methyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name2-amino-N-methyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID60891002
Molecular FormulaC8H15F3N2O3S
Molecular Weight276.28 g/mol
Exact Mass276.08
IUPAC Name2-amino-N-methyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCN(CC(F)(F)F)C(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C8H15F3N2O3S/c1-13(5-8(9,10)11)7(14)6(12)3-4-17(2,15)16/h6H,3-5,12H2,1-2H3
InChIKeyPSQAZGYWSKTCHX-UHFFFAOYSA-N
XLogP-0.23
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 2-amino-N-methyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide (CID 60891002) is 2-amino-N-methyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 2-amino-N-methyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 2-amino-N-methyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide is CN(CC(F)(F)F)C(=O)C(N)CCS(C)(=O)=O.
What is the InChIKey of 2-amino-N-methyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is PSQAZGYWSKTCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O3S/c1-13(5-8(9,10)11)7(14)6(12)3-4-17(2,15)16/h6H,3-5,12H2,1-2H3.
What are the key properties of 2-amino-N-methyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide?
2-amino-N-methyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 276.28 g/mol, XLogP of -0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 60891002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).