2-amino-4-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide

C8H15F3N2O4S — CID 103827545

IUPAC2-amino-4-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide
SMILESCS(=O)(=O)CCC(N)C(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C8H15F3N2O4S/c1-18(16,17)3-2-5(12)7(15)13-4-6(14)8(9,10)11/h5-6,14H,2-4,12H2,1H3,(H,13,15)
InChIKeyOBHMDTVTRMTRFF-UHFFFAOYSA-N
MW292.28 g/mol
LogP-1.21
Rot. Bonds6

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

2-amino-4-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide (PubChem CID 103827545) has the molecular formula C8H15F3N2O4S and a molecular weight of 292.28 g/mol. Its IUPAC name is 2-amino-4-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide.

Molecular Properties

Compound Name2-amino-4-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide
PubChem CID103827545
Molecular FormulaC8H15F3N2O4S
Molecular Weight292.28 g/mol
Exact Mass292.07
IUPAC Name2-amino-4-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide
SMILESCS(=O)(=O)CCC(N)C(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C8H15F3N2O4S/c1-18(16,17)3-2-5(12)7(15)13-4-6(14)8(9,10)11/h5-6,14H,2-4,12H2,1H3,(H,13,15)
InChIKeyOBHMDTVTRMTRFF-UHFFFAOYSA-N
XLogP-1.21
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide?
The IUPAC name of 2-amino-4-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide (CID 103827545) is 2-amino-4-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide.
What is the SMILES notation for 2-amino-4-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide?
The canonical SMILES for 2-amino-4-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide is CS(=O)(=O)CCC(N)C(=O)NCC(O)C(F)(F)F.
What is the InChIKey of 2-amino-4-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide?
The InChIKey is OBHMDTVTRMTRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O4S/c1-18(16,17)3-2-5(12)7(15)13-4-6(14)8(9,10)11/h5-6,14H,2-4,12H2,1H3,(H,13,15).
What are the key properties of 2-amino-4-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide?
2-amino-4-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide has a molecular weight of 292.28 g/mol, XLogP of -1.21, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide is sourced from PubChem (CID 103827545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).