6-oxo-6-(2-sulfamoylethylcarbamoylamino)hexanoic acid

C9H17N3O6S — CID 43552575

IUPAC6-oxo-6-(2-sulfamoylethylcarbamoylamino)hexanoic acid
SMILESNS(=O)(=O)CCNC(=O)NC(=O)CCCCC(=O)O
InChIInChI=1S/C9H17N3O6S/c10-19(17,18)6-5-11-9(16)12-7(13)3-1-2-4-8(14)15/h1-6H2,(H,14,15)(H2,10,17,18)(H2,11,12,13,16)
InChIKeyQTFDNGWLGSZSPH-UHFFFAOYSA-N
MW295.32 g/mol
LogP-1.25
Rot. Bonds8

About 6-oxo-6-(2-sulfamoylethylcarbamoylamino)hexanoic acid

6-oxo-6-(2-sulfamoylethylcarbamoylamino)hexanoic acid (PubChem CID 43552575) has the molecular formula C9H17N3O6S and a molecular weight of 295.32 g/mol. Its IUPAC name is 6-oxo-6-(2-sulfamoylethylcarbamoylamino)hexanoic acid.

Molecular Properties

Compound Name6-oxo-6-(2-sulfamoylethylcarbamoylamino)hexanoic acid
PubChem CID43552575
Molecular FormulaC9H17N3O6S
Molecular Weight295.32 g/mol
Exact Mass295.08
IUPAC Name6-oxo-6-(2-sulfamoylethylcarbamoylamino)hexanoic acid
SMILESNS(=O)(=O)CCNC(=O)NC(=O)CCCCC(=O)O
InChIInChI=1S/C9H17N3O6S/c10-19(17,18)6-5-11-9(16)12-7(13)3-1-2-4-8(14)15/h1-6H2,(H,14,15)(H2,10,17,18)(H2,11,12,13,16)
InChIKeyQTFDNGWLGSZSPH-UHFFFAOYSA-N
XLogP-1.25
TPSA155.66 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 5-1.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-6-(2-sulfamoylethylcarbamoylamino)hexanoic acid?
The IUPAC name of 6-oxo-6-(2-sulfamoylethylcarbamoylamino)hexanoic acid (CID 43552575) is 6-oxo-6-(2-sulfamoylethylcarbamoylamino)hexanoic acid.
What is the SMILES notation for 6-oxo-6-(2-sulfamoylethylcarbamoylamino)hexanoic acid?
The canonical SMILES for 6-oxo-6-(2-sulfamoylethylcarbamoylamino)hexanoic acid is NS(=O)(=O)CCNC(=O)NC(=O)CCCCC(=O)O.
What is the InChIKey of 6-oxo-6-(2-sulfamoylethylcarbamoylamino)hexanoic acid?
The InChIKey is QTFDNGWLGSZSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O6S/c10-19(17,18)6-5-11-9(16)12-7(13)3-1-2-4-8(14)15/h1-6H2,(H,14,15)(H2,10,17,18)(H2,11,12,13,16).
What are the key properties of 6-oxo-6-(2-sulfamoylethylcarbamoylamino)hexanoic acid?
6-oxo-6-(2-sulfamoylethylcarbamoylamino)hexanoic acid has a molecular weight of 295.32 g/mol, XLogP of -1.25, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-6-(2-sulfamoylethylcarbamoylamino)hexanoic acid is sourced from PubChem (CID 43552575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).