6-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]hexanoic acid

C14H22N2O6S — CID 119352297

IUPAC6-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]hexanoic acid
SMILESCc1oc(C(=O)NCCCCCC(=O)O)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C14H22N2O6S/c1-10-12(23(20,21)16(2)3)9-11(22-10)14(19)15-8-6-4-5-7-13(17)18/h9H,4-8H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyKTPJNDNERKLVKY-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.21
Rot. Bonds9

About 6-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]hexanoic acid

6-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]hexanoic acid (PubChem CID 119352297) has the molecular formula C14H22N2O6S and a molecular weight of 346.41 g/mol. Its IUPAC name is 6-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]hexanoic acid
PubChem CID119352297
Molecular FormulaC14H22N2O6S
Molecular Weight346.41 g/mol
Exact Mass346.12
IUPAC Name6-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]hexanoic acid
SMILESCc1oc(C(=O)NCCCCCC(=O)O)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C14H22N2O6S/c1-10-12(23(20,21)16(2)3)9-11(22-10)14(19)15-8-6-4-5-7-13(17)18/h9H,4-8H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyKTPJNDNERKLVKY-UHFFFAOYSA-N
XLogP1.21
TPSA116.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.21
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

6-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]hexanoic acid
CID 119219853
3-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]butanoic acid
CID 119347905
6-[(5-methylfuran-2-carbonyl)amino]hexanoic acid
CID 28776987
7-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]heptanoic acid
CID 119350785
(2R)-2-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]-4-methylpentanoic acid
CID 119364373
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride
CID 119609108
(2S)-2-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]-4-methylpentanoic acid
CID 119361847
(2R)-2-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]-3-phenylpropanoic acid
CID 119367357
N-[3-(aminomethyl)pentan-3-yl]-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride
CID 119572156
5-methyl-N-(3-methylsulfinylpropyl)-4-sulfamoylfuran-2-carboxamide
CID 115688805
5-[(7-methyl-1-benzofuran-2-carbonyl)amino]pentanoic acid
CID 119234840
6-[4-(dimethylsulfamoyl)anilino]hexanoic acid
CID 43453874

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]hexanoic acid?
The IUPAC name of 6-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]hexanoic acid (CID 119352297) is 6-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]hexanoic acid.
What is the SMILES notation for 6-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]hexanoic acid?
The canonical SMILES for 6-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]hexanoic acid is Cc1oc(C(=O)NCCCCCC(=O)O)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 6-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]hexanoic acid?
The InChIKey is KTPJNDNERKLVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O6S/c1-10-12(23(20,21)16(2)3)9-11(22-10)14(19)15-8-6-4-5-7-13(17)18/h9H,4-8H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 6-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]hexanoic acid?
6-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]hexanoic acid has a molecular weight of 346.41 g/mol, XLogP of 1.21, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]hexanoic acid is sourced from PubChem (CID 119352297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).