2-(oxane-4-carbonylamino)ethanesulfonyl fluoride

C8H14FNO4S — CID 154772944

IUPAC2-(oxane-4-carbonylamino)ethanesulfonyl fluoride
SMILESO=C(NCCS(=O)(=O)F)C1CCOCC1
InChIInChI=1S/C8H14FNO4S/c9-15(12,13)6-3-10-8(11)7-1-4-14-5-2-7/h7H,1-6H2,(H,10,11)
InChIKeyOAUYZPDISXSJPZ-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.17
Rot. Bonds4

About 2-(oxane-4-carbonylamino)ethanesulfonyl fluoride

2-(oxane-4-carbonylamino)ethanesulfonyl fluoride (PubChem CID 154772944) has the molecular formula C8H14FNO4S and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-(oxane-4-carbonylamino)ethanesulfonyl fluoride.

Molecular Properties

Compound Name2-(oxane-4-carbonylamino)ethanesulfonyl fluoride
PubChem CID154772944
Molecular FormulaC8H14FNO4S
Molecular Weight239.27 g/mol
Exact Mass239.06
IUPAC Name2-(oxane-4-carbonylamino)ethanesulfonyl fluoride
SMILESO=C(NCCS(=O)(=O)F)C1CCOCC1
InChIInChI=1S/C8H14FNO4S/c9-15(12,13)6-3-10-8(11)7-1-4-14-5-2-7/h7H,1-6H2,(H,10,11)
InChIKeyOAUYZPDISXSJPZ-UHFFFAOYSA-N
XLogP-0.17
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-sulfamoylethyl)oxolane-3-carboxamide
CID 61277309
N-(4-bromobutyl)oxane-4-carboxamide
CID 106845809
N-(3-methylbutyl)oxane-4-carboxamide
CID 51110017
N-(2-methylsulfonylethyl)cyclopropanecarboxamide
CID 61066556
2-(oxan-4-yl)-2-oxoethanesulfonyl fluoride
CID 115026740
N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]oxane-4-carboxamide
CID 113068065
7-(oxane-4-carbonylamino)heptanoic acid
CID 28779379
N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]oxane-4-carboxamide
CID 113065636
N-(2-piperidin-4-ylethyl)oxane-4-carboxamide
CID 62907394
N-[2-[acetyl(cyclopropyl)amino]ethyl]oxane-4-carboxamide
CID 113052174
N-[2-[acetyl(tert-butyl)amino]ethyl]oxane-4-carboxamide
CID 113056620
N-(4-bromobutyl)oxolane-3-carboxamide
CID 106845774

Frequently Asked Questions

What is the IUPAC name of 2-(oxane-4-carbonylamino)ethanesulfonyl fluoride?
The IUPAC name of 2-(oxane-4-carbonylamino)ethanesulfonyl fluoride (CID 154772944) is 2-(oxane-4-carbonylamino)ethanesulfonyl fluoride.
What is the SMILES notation for 2-(oxane-4-carbonylamino)ethanesulfonyl fluoride?
The canonical SMILES for 2-(oxane-4-carbonylamino)ethanesulfonyl fluoride is O=C(NCCS(=O)(=O)F)C1CCOCC1.
What is the InChIKey of 2-(oxane-4-carbonylamino)ethanesulfonyl fluoride?
The InChIKey is OAUYZPDISXSJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO4S/c9-15(12,13)6-3-10-8(11)7-1-4-14-5-2-7/h7H,1-6H2,(H,10,11).
What are the key properties of 2-(oxane-4-carbonylamino)ethanesulfonyl fluoride?
2-(oxane-4-carbonylamino)ethanesulfonyl fluoride has a molecular weight of 239.27 g/mol, XLogP of -0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxane-4-carbonylamino)ethanesulfonyl fluoride is sourced from PubChem (CID 154772944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).