1,1,1-trifluoro-N-(1-hydroxy-4-methylpentan-3-yl)methanesulfonamide

C7H14F3NO3S — CID 106353432

IUPAC1,1,1-trifluoro-N-(1-hydroxy-4-methylpentan-3-yl)methanesulfonamide
SMILESCC(C)C(CCO)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H14F3NO3S/c1-5(2)6(3-4-12)11-15(13,14)7(8,9)10/h5-6,11-12H,3-4H2,1-2H3
InChIKeyKJBSNPXNCDZLLN-UHFFFAOYSA-N
MW249.25 g/mol
LogP0.83
Rot. Bonds5

About 1,1,1-trifluoro-N-(1-hydroxy-4-methylpentan-3-yl)methanesulfonamide

1,1,1-trifluoro-N-(1-hydroxy-4-methylpentan-3-yl)methanesulfonamide (PubChem CID 106353432) has the molecular formula C7H14F3NO3S and a molecular weight of 249.25 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(1-hydroxy-4-methylpentan-3-yl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(1-hydroxy-4-methylpentan-3-yl)methanesulfonamide
PubChem CID106353432
Molecular FormulaC7H14F3NO3S
Molecular Weight249.25 g/mol
Exact Mass249.06
IUPAC Name1,1,1-trifluoro-N-(1-hydroxy-4-methylpentan-3-yl)methanesulfonamide
SMILESCC(C)C(CCO)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H14F3NO3S/c1-5(2)6(3-4-12)11-15(13,14)7(8,9)10/h5-6,11-12H,3-4H2,1-2H3
InChIKeyKJBSNPXNCDZLLN-UHFFFAOYSA-N
XLogP0.83
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(1-hydroxy-4-methylpentan-3-yl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(1-hydroxy-4-methylpentan-3-yl)methanesulfonamide (CID 106353432) is 1,1,1-trifluoro-N-(1-hydroxy-4-methylpentan-3-yl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(1-hydroxy-4-methylpentan-3-yl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(1-hydroxy-4-methylpentan-3-yl)methanesulfonamide is CC(C)C(CCO)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(1-hydroxy-4-methylpentan-3-yl)methanesulfonamide?
The InChIKey is KJBSNPXNCDZLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO3S/c1-5(2)6(3-4-12)11-15(13,14)7(8,9)10/h5-6,11-12H,3-4H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-N-(1-hydroxy-4-methylpentan-3-yl)methanesulfonamide?
1,1,1-trifluoro-N-(1-hydroxy-4-methylpentan-3-yl)methanesulfonamide has a molecular weight of 249.25 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(1-hydroxy-4-methylpentan-3-yl)methanesulfonamide is sourced from PubChem (CID 106353432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).