2-amino-4-methylsulfonyl-N-(4,4,4-trifluorobutan-2-yl)butanamide

C9H17F3N2O3S — CID 114130899

IUPAC2-amino-4-methylsulfonyl-N-(4,4,4-trifluorobutan-2-yl)butanamide
SMILESCC(CC(F)(F)F)NC(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C9H17F3N2O3S/c1-6(5-9(10,11)12)14-8(15)7(13)3-4-18(2,16)17/h6-7H,3-5,13H2,1-2H3,(H,14,15)
InChIKeyFOCNZPJPQRQBLX-UHFFFAOYSA-N
MW290.31 g/mol
LogP0.21
Rot. Bonds6

About 2-amino-4-methylsulfonyl-N-(4,4,4-trifluorobutan-2-yl)butanamide

2-amino-4-methylsulfonyl-N-(4,4,4-trifluorobutan-2-yl)butanamide (PubChem CID 114130899) has the molecular formula C9H17F3N2O3S and a molecular weight of 290.31 g/mol. Its IUPAC name is 2-amino-4-methylsulfonyl-N-(4,4,4-trifluorobutan-2-yl)butanamide.

Molecular Properties

Compound Name2-amino-4-methylsulfonyl-N-(4,4,4-trifluorobutan-2-yl)butanamide
PubChem CID114130899
Molecular FormulaC9H17F3N2O3S
Molecular Weight290.31 g/mol
Exact Mass290.09
IUPAC Name2-amino-4-methylsulfonyl-N-(4,4,4-trifluorobutan-2-yl)butanamide
SMILESCC(CC(F)(F)F)NC(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C9H17F3N2O3S/c1-6(5-9(10,11)12)14-8(15)7(13)3-4-18(2,16)17/h6-7H,3-5,13H2,1-2H3,(H,14,15)
InChIKeyFOCNZPJPQRQBLX-UHFFFAOYSA-N
XLogP0.21
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylsulfonyl-N-(4,4,4-trifluorobutan-2-yl)butanamide?
The IUPAC name of 2-amino-4-methylsulfonyl-N-(4,4,4-trifluorobutan-2-yl)butanamide (CID 114130899) is 2-amino-4-methylsulfonyl-N-(4,4,4-trifluorobutan-2-yl)butanamide.
What is the SMILES notation for 2-amino-4-methylsulfonyl-N-(4,4,4-trifluorobutan-2-yl)butanamide?
The canonical SMILES for 2-amino-4-methylsulfonyl-N-(4,4,4-trifluorobutan-2-yl)butanamide is CC(CC(F)(F)F)NC(=O)C(N)CCS(C)(=O)=O.
What is the InChIKey of 2-amino-4-methylsulfonyl-N-(4,4,4-trifluorobutan-2-yl)butanamide?
The InChIKey is FOCNZPJPQRQBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O3S/c1-6(5-9(10,11)12)14-8(15)7(13)3-4-18(2,16)17/h6-7H,3-5,13H2,1-2H3,(H,14,15).
What are the key properties of 2-amino-4-methylsulfonyl-N-(4,4,4-trifluorobutan-2-yl)butanamide?
2-amino-4-methylsulfonyl-N-(4,4,4-trifluorobutan-2-yl)butanamide has a molecular weight of 290.31 g/mol, XLogP of 0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylsulfonyl-N-(4,4,4-trifluorobutan-2-yl)butanamide is sourced from PubChem (CID 114130899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).