5-(dimethylsulfamoyl)-2-methylfuran-3-carboxylic acid

C8H11NO5S — CID 2736868

IUPAC5-(dimethylsulfamoyl)-2-methylfuran-3-carboxylic acid
SMILESCc1oc(S(=O)(=O)N(C)C)cc1C(=O)O
InChIInChI=1S/C8H11NO5S/c1-5-6(8(10)11)4-7(14-5)15(12,13)9(2)3/h4H,1-3H3,(H,10,11)
InChIKeyDUFCMRCMPHIFTR-UHFFFAOYSA-N
MW233.24 g/mol
LogP0.54
Rot. Bonds3

About 5-(dimethylsulfamoyl)-2-methylfuran-3-carboxylic acid

5-(dimethylsulfamoyl)-2-methylfuran-3-carboxylic acid (PubChem CID 2736868) has the molecular formula C8H11NO5S and a molecular weight of 233.24 g/mol. Its IUPAC name is 5-(dimethylsulfamoyl)-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-(dimethylsulfamoyl)-2-methylfuran-3-carboxylic acid
PubChem CID2736868
Molecular FormulaC8H11NO5S
Molecular Weight233.24 g/mol
Exact Mass233.04
IUPAC Name5-(dimethylsulfamoyl)-2-methylfuran-3-carboxylic acid
SMILESCc1oc(S(=O)(=O)N(C)C)cc1C(=O)O
InChIInChI=1S/C8H11NO5S/c1-5-6(8(10)11)4-7(14-5)15(12,13)9(2)3/h4H,1-3H3,(H,10,11)
InChIKeyDUFCMRCMPHIFTR-UHFFFAOYSA-N
XLogP0.54
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-(dimethylsulfamoyl)-2-methylfuran-3-carbonyl]-methylamino]acetic acid
CID 119346496
5-(dimethylsulfamoyl)-2-methyl-N-[3-(methylamino)propyl]furan-3-carboxamide
CID 119434335
N-(3-aminopropyl)-5-(dimethylsulfamoyl)-2-methylfuran-3-carboxamide;hydrochloride
CID 119409085
1-[5-(dimethylsulfamoyl)-2-methylfuran-3-carbonyl]-6-methylpiperidine-3-carboxylic acid
CID 122113960
4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-N,N,5-trimethylfuran-2-sulfonamide
CID 119639521
4-(7-bromo-6-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-N,N,5-trimethylfuran-2-sulfonamide
CID 154873477
5-(dimethylsulfamoyl)-2-methyl-N-(2-piperazin-1-ylethyl)furan-3-carboxamide;hydrochloride
CID 119449323
4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-N,N,5-trimethylfuran-2-sulfonamide;hydrochloride
CID 119648455
5-(dimethylsulfamoyl)-N-(3-hydroxy-4-pyridinyl)-2-methylfuran-3-carboxamide
CID 75377792
4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,N,5-trimethylfuran-2-sulfonamide;hydrochloride
CID 119625506
5-[[[4-(dimethylsulfamoyl)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222465
5-(dimethylsulfamoyl)-N-(3-ethylcyclohexyl)-2-methylfuran-3-carboxamide
CID 71974070

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoyl)-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-(dimethylsulfamoyl)-2-methylfuran-3-carboxylic acid (CID 2736868) is 5-(dimethylsulfamoyl)-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-(dimethylsulfamoyl)-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-(dimethylsulfamoyl)-2-methylfuran-3-carboxylic acid is Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)O.
What is the InChIKey of 5-(dimethylsulfamoyl)-2-methylfuran-3-carboxylic acid?
The InChIKey is DUFCMRCMPHIFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO5S/c1-5-6(8(10)11)4-7(14-5)15(12,13)9(2)3/h4H,1-3H3,(H,10,11).
What are the key properties of 5-(dimethylsulfamoyl)-2-methylfuran-3-carboxylic acid?
5-(dimethylsulfamoyl)-2-methylfuran-3-carboxylic acid has a molecular weight of 233.24 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoyl)-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 2736868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).