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

C13H20N2O6S — CID 119219853

IUPAC6-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]hexanoic acid
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCCCCCC(=O)O)o1
InChIInChI=1S/C13H20N2O6S/c1-15(2)22(19,20)12-8-7-10(21-12)13(18)14-9-5-3-4-6-11(16)17/h7-8H,3-6,9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyNNDLBEABRSYIHP-UHFFFAOYSA-N
MW332.38 g/mol
LogP0.90
Rot. Bonds9

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

6-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]hexanoic acid (PubChem CID 119219853) has the molecular formula C13H20N2O6S and a molecular weight of 332.38 g/mol. Its IUPAC name is 6-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]hexanoic acid
PubChem CID119219853
Molecular FormulaC13H20N2O6S
Molecular Weight332.38 g/mol
Exact Mass332.10
IUPAC Name6-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]hexanoic acid
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCCCCCC(=O)O)o1
InChIInChI=1S/C13H20N2O6S/c1-15(2)22(19,20)12-8-7-10(21-12)13(18)14-9-5-3-4-6-11(16)17/h7-8H,3-6,9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyNNDLBEABRSYIHP-UHFFFAOYSA-N
XLogP0.90
TPSA116.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119241802
6-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]hexanoic acid
CID 119352297
6-[(5-methylfuran-2-carbonyl)amino]hexanoic acid
CID 28776987
6-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]hexanoic acid
CID 119352313
5-(dimethylsulfamoyl)-N-(2-hydroxypropyl)furan-2-carboxamide
CID 43427872
4-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-4-phenylbutanoic acid
CID 119201090
5-(dimethylsulfamoyl)-N-(2-hydroxy-4-methylpentyl)furan-2-carboxamide
CID 103771245
N-butyl-5-sulfamoylfuran-2-carboxamide
CID 47175951
6-[[2-[4-(dimethylamino)phenyl]acetyl]amino]hexanoic acid
CID 57495425
2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-3-methylbutanoic acid
CID 43353960
(2R)-2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-3-methylbutanoic acid
CID 79009314
2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-4-hydroxybutanoic acid
CID 61243288

Frequently Asked Questions

What is the IUPAC name of 6-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]hexanoic acid?
The IUPAC name of 6-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]hexanoic acid (CID 119219853) is 6-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]hexanoic acid.
What is the SMILES notation for 6-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]hexanoic acid?
The canonical SMILES for 6-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]hexanoic acid is CN(C)S(=O)(=O)c1ccc(C(=O)NCCCCCC(=O)O)o1.
What is the InChIKey of 6-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]hexanoic acid?
The InChIKey is NNDLBEABRSYIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O6S/c1-15(2)22(19,20)12-8-7-10(21-12)13(18)14-9-5-3-4-6-11(16)17/h7-8H,3-6,9H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 6-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]hexanoic acid?
6-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]hexanoic acid has a molecular weight of 332.38 g/mol, XLogP of 0.90, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]hexanoic acid is sourced from PubChem (CID 119219853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).