2-[[(E)-hex-3-en-3-yl]amino]ethanesulfonyl fluoride

C8H16FNO2S — CID 170007194

IUPAC2-[[(E)-hex-3-en-3-yl]amino]ethanesulfonyl fluoride
SMILESCC/C=C(\CC)NCCS(=O)(=O)F
InChIInChI=1S/C8H16FNO2S/c1-3-5-8(4-2)10-6-7-13(9,11)12/h5,10H,3-4,6-7H2,1-2H3/b8-5+
InChIKeyLZKARQDJYPHIDY-VMPITWQZSA-N
MW209.29 g/mol
LogP1.58
Rot. Bonds6

About 2-[[(E)-hex-3-en-3-yl]amino]ethanesulfonyl fluoride

2-[[(E)-hex-3-en-3-yl]amino]ethanesulfonyl fluoride (PubChem CID 170007194) has the molecular formula C8H16FNO2S and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[[(E)-hex-3-en-3-yl]amino]ethanesulfonyl fluoride.

Molecular Properties

Compound Name2-[[(E)-hex-3-en-3-yl]amino]ethanesulfonyl fluoride
PubChem CID170007194
Molecular FormulaC8H16FNO2S
Molecular Weight209.29 g/mol
Exact Mass209.09
IUPAC Name2-[[(E)-hex-3-en-3-yl]amino]ethanesulfonyl fluoride
SMILESCC/C=C(\CC)NCCS(=O)(=O)F
InChIInChI=1S/C8H16FNO2S/c1-3-5-8(4-2)10-6-7-13(9,11)12/h5,10H,3-4,6-7H2,1-2H3/b8-5+
InChIKeyLZKARQDJYPHIDY-VMPITWQZSA-N
XLogP1.58
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[(E)-hex-3-en-3-yl]amino]ethanesulfonyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-hex-3-en-3-yl]amino]ethanesulfonyl fluoride?
The IUPAC name of 2-[[(E)-hex-3-en-3-yl]amino]ethanesulfonyl fluoride (CID 170007194) is 2-[[(E)-hex-3-en-3-yl]amino]ethanesulfonyl fluoride.
What is the SMILES notation for 2-[[(E)-hex-3-en-3-yl]amino]ethanesulfonyl fluoride?
The canonical SMILES for 2-[[(E)-hex-3-en-3-yl]amino]ethanesulfonyl fluoride is CC/C=C(\CC)NCCS(=O)(=O)F.
What is the InChIKey of 2-[[(E)-hex-3-en-3-yl]amino]ethanesulfonyl fluoride?
The InChIKey is LZKARQDJYPHIDY-VMPITWQZSA-N. The full InChI is InChI=1S/C8H16FNO2S/c1-3-5-8(4-2)10-6-7-13(9,11)12/h5,10H,3-4,6-7H2,1-2H3/b8-5+.
What are the key properties of 2-[[(E)-hex-3-en-3-yl]amino]ethanesulfonyl fluoride?
2-[[(E)-hex-3-en-3-yl]amino]ethanesulfonyl fluoride has a molecular weight of 209.29 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-hex-3-en-3-yl]amino]ethanesulfonyl fluoride is sourced from PubChem (CID 170007194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).