6-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]hexanoic acid

C13H20N2O6S — CID 119352313

IUPAC6-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]hexanoic acid
SMILESCS(=O)(=O)NCc1ccc(C(=O)NCCCCCC(=O)O)o1
InChIInChI=1S/C13H20N2O6S/c1-22(19,20)15-9-10-6-7-11(21-10)13(18)14-8-4-2-3-5-12(16)17/h6-7,15H,2-5,8-9H2,1H3,(H,14,18)(H,16,17)
InChIKeyJAZPVYQRELRYFL-UHFFFAOYSA-N
MW332.38 g/mol
LogP0.70
Rot. Bonds10

About 6-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]hexanoic acid

6-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]hexanoic acid (PubChem CID 119352313) has the molecular formula C13H20N2O6S and a molecular weight of 332.38 g/mol. Its IUPAC name is 6-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]hexanoic acid
PubChem CID119352313
Molecular FormulaC13H20N2O6S
Molecular Weight332.38 g/mol
Exact Mass332.10
IUPAC Name6-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]hexanoic acid
SMILESCS(=O)(=O)NCc1ccc(C(=O)NCCCCCC(=O)O)o1
InChIInChI=1S/C13H20N2O6S/c1-22(19,20)15-9-10-6-7-11(21-10)13(18)14-8-4-2-3-5-12(16)17/h6-7,15H,2-5,8-9H2,1H3,(H,14,18)(H,16,17)
InChIKeyJAZPVYQRELRYFL-UHFFFAOYSA-N
XLogP0.70
TPSA125.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 50.70
H-Bond Donors ≤ 53
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-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]hexanoic acid?
The IUPAC name of 6-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]hexanoic acid (CID 119352313) is 6-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]hexanoic acid.
What is the SMILES notation for 6-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]hexanoic acid?
The canonical SMILES for 6-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]hexanoic acid is CS(=O)(=O)NCc1ccc(C(=O)NCCCCCC(=O)O)o1.
What is the InChIKey of 6-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]hexanoic acid?
The InChIKey is JAZPVYQRELRYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O6S/c1-22(19,20)15-9-10-6-7-11(21-10)13(18)14-8-4-2-3-5-12(16)17/h6-7,15H,2-5,8-9H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 6-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]hexanoic acid?
6-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]hexanoic acid has a molecular weight of 332.38 g/mol, XLogP of 0.70, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]hexanoic acid is sourced from PubChem (CID 119352313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).