2-amino-4-methylsulfonyl-N-(3,3,3-trifluoropropyl)butanamide

C8H15F3N2O3S — CID 63227382

IUPAC2-amino-4-methylsulfonyl-N-(3,3,3-trifluoropropyl)butanamide
SMILESCS(=O)(=O)CCC(N)C(=O)NCCC(F)(F)F
InChIInChI=1S/C8H15F3N2O3S/c1-17(15,16)5-2-6(12)7(14)13-4-3-8(9,10)11/h6H,2-5,12H2,1H3,(H,13,14)
InChIKeyWUXOOFLRYRBMKC-UHFFFAOYSA-N
MW276.28 g/mol
LogP-0.18
Rot. Bonds6

About 2-amino-4-methylsulfonyl-N-(3,3,3-trifluoropropyl)butanamide

2-amino-4-methylsulfonyl-N-(3,3,3-trifluoropropyl)butanamide (PubChem CID 63227382) has the molecular formula C8H15F3N2O3S and a molecular weight of 276.28 g/mol. Its IUPAC name is 2-amino-4-methylsulfonyl-N-(3,3,3-trifluoropropyl)butanamide.

Molecular Properties

Compound Name2-amino-4-methylsulfonyl-N-(3,3,3-trifluoropropyl)butanamide
PubChem CID63227382
Molecular FormulaC8H15F3N2O3S
Molecular Weight276.28 g/mol
Exact Mass276.08
IUPAC Name2-amino-4-methylsulfonyl-N-(3,3,3-trifluoropropyl)butanamide
SMILESCS(=O)(=O)CCC(N)C(=O)NCCC(F)(F)F
InChIInChI=1S/C8H15F3N2O3S/c1-17(15,16)5-2-6(12)7(14)13-4-3-8(9,10)11/h6H,2-5,12H2,1H3,(H,13,14)
InChIKeyWUXOOFLRYRBMKC-UHFFFAOYSA-N
XLogP-0.18
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 5-0.18
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-(3,3,3-trifluoropropyl)butanamide?
The IUPAC name of 2-amino-4-methylsulfonyl-N-(3,3,3-trifluoropropyl)butanamide (CID 63227382) is 2-amino-4-methylsulfonyl-N-(3,3,3-trifluoropropyl)butanamide.
What is the SMILES notation for 2-amino-4-methylsulfonyl-N-(3,3,3-trifluoropropyl)butanamide?
The canonical SMILES for 2-amino-4-methylsulfonyl-N-(3,3,3-trifluoropropyl)butanamide is CS(=O)(=O)CCC(N)C(=O)NCCC(F)(F)F.
What is the InChIKey of 2-amino-4-methylsulfonyl-N-(3,3,3-trifluoropropyl)butanamide?
The InChIKey is WUXOOFLRYRBMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O3S/c1-17(15,16)5-2-6(12)7(14)13-4-3-8(9,10)11/h6H,2-5,12H2,1H3,(H,13,14).
What are the key properties of 2-amino-4-methylsulfonyl-N-(3,3,3-trifluoropropyl)butanamide?
2-amino-4-methylsulfonyl-N-(3,3,3-trifluoropropyl)butanamide has a molecular weight of 276.28 g/mol, XLogP of -0.18, 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-(3,3,3-trifluoropropyl)butanamide is sourced from PubChem (CID 63227382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).