(4-hydroxypentanoylamino) trifluoromethanesulfonate

C6H10F3NO5S — CID 162547992

IUPAC(4-hydroxypentanoylamino) trifluoromethanesulfonate
SMILESCC(O)CCC(=O)NOS(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H10F3NO5S/c1-4(11)2-3-5(12)10-15-16(13,14)6(7,8)9/h4,11H,2-3H2,1H3,(H,10,12)
InChIKeyGWNMTGCWADSDQM-UHFFFAOYSA-N
MW265.21 g/mol
LogP0.04
Rot. Bonds5

About (4-hydroxypentanoylamino) trifluoromethanesulfonate

(4-hydroxypentanoylamino) trifluoromethanesulfonate (PubChem CID 162547992) has the molecular formula C6H10F3NO5S and a molecular weight of 265.21 g/mol. Its IUPAC name is (4-hydroxypentanoylamino) trifluoromethanesulfonate.

Molecular Properties

Compound Name(4-hydroxypentanoylamino) trifluoromethanesulfonate
PubChem CID162547992
Molecular FormulaC6H10F3NO5S
Molecular Weight265.21 g/mol
Exact Mass265.02
IUPAC Name(4-hydroxypentanoylamino) trifluoromethanesulfonate
SMILESCC(O)CCC(=O)NOS(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H10F3NO5S/c1-4(11)2-3-5(12)10-15-16(13,14)6(7,8)9/h4,11H,2-3H2,1H3,(H,10,12)
InChIKeyGWNMTGCWADSDQM-UHFFFAOYSA-N
XLogP0.04
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.21
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxypentanoylamino) trifluoromethanesulfonate?
The IUPAC name of (4-hydroxypentanoylamino) trifluoromethanesulfonate (CID 162547992) is (4-hydroxypentanoylamino) trifluoromethanesulfonate.
What is the SMILES notation for (4-hydroxypentanoylamino) trifluoromethanesulfonate?
The canonical SMILES for (4-hydroxypentanoylamino) trifluoromethanesulfonate is CC(O)CCC(=O)NOS(=O)(=O)C(F)(F)F.
What is the InChIKey of (4-hydroxypentanoylamino) trifluoromethanesulfonate?
The InChIKey is GWNMTGCWADSDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO5S/c1-4(11)2-3-5(12)10-15-16(13,14)6(7,8)9/h4,11H,2-3H2,1H3,(H,10,12).
What are the key properties of (4-hydroxypentanoylamino) trifluoromethanesulfonate?
(4-hydroxypentanoylamino) trifluoromethanesulfonate has a molecular weight of 265.21 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxypentanoylamino) trifluoromethanesulfonate is sourced from PubChem (CID 162547992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).