5,5,5-trifluoro-1-methylsulfonylpent-1-en-3-amine

C6H10F3NO2S — CID 178064317

IUPAC5,5,5-trifluoro-1-methylsulfonylpent-1-en-3-amine
SMILESCS(=O)(=O)C=CC(N)CC(F)(F)F
InChIInChI=1S/C6H10F3NO2S/c1-13(11,12)3-2-5(10)4-6(7,8)9/h2-3,5H,4,10H2,1H3
InChIKeyYTUSRQUMCWSESI-UHFFFAOYSA-N
MW217.21 g/mol
LogP0.82
Rot. Bonds3

About 5,5,5-trifluoro-1-methylsulfonylpent-1-en-3-amine

5,5,5-trifluoro-1-methylsulfonylpent-1-en-3-amine (PubChem CID 178064317) has the molecular formula C6H10F3NO2S and a molecular weight of 217.21 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-methylsulfonylpent-1-en-3-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-1-methylsulfonylpent-1-en-3-amine
PubChem CID178064317
Molecular FormulaC6H10F3NO2S
Molecular Weight217.21 g/mol
Exact Mass217.04
IUPAC Name5,5,5-trifluoro-1-methylsulfonylpent-1-en-3-amine
SMILESCS(=O)(=O)C=CC(N)CC(F)(F)F
InChIInChI=1S/C6H10F3NO2S/c1-13(11,12)3-2-5(10)4-6(7,8)9/h2-3,5H,4,10H2,1H3
InChIKeyYTUSRQUMCWSESI-UHFFFAOYSA-N
XLogP0.82
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.21
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-methylsulfonylpent-1-en-3-amine?
The IUPAC name of 5,5,5-trifluoro-1-methylsulfonylpent-1-en-3-amine (CID 178064317) is 5,5,5-trifluoro-1-methylsulfonylpent-1-en-3-amine.
What is the SMILES notation for 5,5,5-trifluoro-1-methylsulfonylpent-1-en-3-amine?
The canonical SMILES for 5,5,5-trifluoro-1-methylsulfonylpent-1-en-3-amine is CS(=O)(=O)C=CC(N)CC(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-1-methylsulfonylpent-1-en-3-amine?
The InChIKey is YTUSRQUMCWSESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2S/c1-13(11,12)3-2-5(10)4-6(7,8)9/h2-3,5H,4,10H2,1H3.
What are the key properties of 5,5,5-trifluoro-1-methylsulfonylpent-1-en-3-amine?
5,5,5-trifluoro-1-methylsulfonylpent-1-en-3-amine has a molecular weight of 217.21 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-methylsulfonylpent-1-en-3-amine is sourced from PubChem (CID 178064317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).