(E)-N-(2,2,2-trifluoroethylsulfamoyl)pent-3-en-1-amine

C7H13F3N2O2S — CID 114807258

IUPAC(E)-N-(2,2,2-trifluoroethylsulfamoyl)pent-3-en-1-amine
SMILESC/C=C/CCNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H13F3N2O2S/c1-2-3-4-5-11-15(13,14)12-6-7(8,9)10/h2-3,11-12H,4-6H2,1H3/b3-2+
InChIKeyNOCYEHPXFBXLQF-NSCUHMNNSA-N
MW246.25 g/mol
LogP0.94
Rot. Bonds6

About (E)-N-(2,2,2-trifluoroethylsulfamoyl)pent-3-en-1-amine

(E)-N-(2,2,2-trifluoroethylsulfamoyl)pent-3-en-1-amine (PubChem CID 114807258) has the molecular formula C7H13F3N2O2S and a molecular weight of 246.25 g/mol. Its IUPAC name is (E)-N-(2,2,2-trifluoroethylsulfamoyl)pent-3-en-1-amine.

Molecular Properties

Compound Name(E)-N-(2,2,2-trifluoroethylsulfamoyl)pent-3-en-1-amine
PubChem CID114807258
Molecular FormulaC7H13F3N2O2S
Molecular Weight246.25 g/mol
Exact Mass246.06
IUPAC Name(E)-N-(2,2,2-trifluoroethylsulfamoyl)pent-3-en-1-amine
SMILESC/C=C/CCNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H13F3N2O2S/c1-2-3-4-5-11-15(13,14)12-6-7(8,9)10/h2-3,11-12H,4-6H2,1H3/b3-2+
InChIKeyNOCYEHPXFBXLQF-NSCUHMNNSA-N
XLogP0.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,1,1-trifluoro-N-[(E)-pent-3-enyl]methanesulfonamide
CID 116033428
N-(2,2,2-trifluoroethylsulfamoyl)but-3-en-1-amine
CID 114807265
(E)-N'-(2,2,2-trifluoroethylsulfamoyl)but-2-ene-1,4-diamine
CID 114811344
1,1-difluoro-N-[(E)-pent-3-enyl]methanesulfonamide
CID 115628751
(Z)-1-(sulfamoylamino)pent-2-ene
CID 163676156
(E)-N-(methylsulfamoyl)pent-3-en-1-amine
CID 114807255
(E)-N-(propylsulfamoyl)pent-3-en-1-amine
CID 114807257
(E)-5-(sulfamoylamino)pent-2-ene
CID 115628770
(E)-N-(ethylsulfamoyl)pent-3-en-1-amine
CID 115638466

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,2,2-trifluoroethylsulfamoyl)pent-3-en-1-amine?
The IUPAC name of (E)-N-(2,2,2-trifluoroethylsulfamoyl)pent-3-en-1-amine (CID 114807258) is (E)-N-(2,2,2-trifluoroethylsulfamoyl)pent-3-en-1-amine.
What is the SMILES notation for (E)-N-(2,2,2-trifluoroethylsulfamoyl)pent-3-en-1-amine?
The canonical SMILES for (E)-N-(2,2,2-trifluoroethylsulfamoyl)pent-3-en-1-amine is C/C=C/CCNS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of (E)-N-(2,2,2-trifluoroethylsulfamoyl)pent-3-en-1-amine?
The InChIKey is NOCYEHPXFBXLQF-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H13F3N2O2S/c1-2-3-4-5-11-15(13,14)12-6-7(8,9)10/h2-3,11-12H,4-6H2,1H3/b3-2+.
What are the key properties of (E)-N-(2,2,2-trifluoroethylsulfamoyl)pent-3-en-1-amine?
(E)-N-(2,2,2-trifluoroethylsulfamoyl)pent-3-en-1-amine has a molecular weight of 246.25 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,2,2-trifluoroethylsulfamoyl)pent-3-en-1-amine is sourced from PubChem (CID 114807258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).