5-[methyl-[(1-methylpiperidin-4-yl)methyl]sulfamoyl]furan-2-carboxylic acid

C13H20N2O5S — CID 63236452

IUPAC5-[methyl-[(1-methylpiperidin-4-yl)methyl]sulfamoyl]furan-2-carboxylic acid
SMILESCN1CCC(CN(C)S(=O)(=O)c2ccc(C(=O)O)o2)CC1
InChIInChI=1S/C13H20N2O5S/c1-14-7-5-10(6-8-14)9-15(2)21(18,19)12-4-3-11(20-12)13(16)17/h3-4,10H,5-9H2,1-2H3,(H,16,17)
InChIKeyRBXOOTBWWSWKLX-UHFFFAOYSA-N
MW316.38 g/mol
LogP0.94
Rot. Bonds5

About 5-[methyl-[(1-methylpiperidin-4-yl)methyl]sulfamoyl]furan-2-carboxylic acid

5-[methyl-[(1-methylpiperidin-4-yl)methyl]sulfamoyl]furan-2-carboxylic acid (PubChem CID 63236452) has the molecular formula C13H20N2O5S and a molecular weight of 316.38 g/mol. Its IUPAC name is 5-[methyl-[(1-methylpiperidin-4-yl)methyl]sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[methyl-[(1-methylpiperidin-4-yl)methyl]sulfamoyl]furan-2-carboxylic acid
PubChem CID63236452
Molecular FormulaC13H20N2O5S
Molecular Weight316.38 g/mol
Exact Mass316.11
IUPAC Name5-[methyl-[(1-methylpiperidin-4-yl)methyl]sulfamoyl]furan-2-carboxylic acid
SMILESCN1CCC(CN(C)S(=O)(=O)c2ccc(C(=O)O)o2)CC1
InChIInChI=1S/C13H20N2O5S/c1-14-7-5-10(6-8-14)9-15(2)21(18,19)12-4-3-11(20-12)13(16)17/h3-4,10H,5-9H2,1-2H3,(H,16,17)
InChIKeyRBXOOTBWWSWKLX-UHFFFAOYSA-N
XLogP0.94
TPSA91.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[methyl-[(1-methylpiperidin-4-yl)methyl]sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[methyl-[(1-methylpiperidin-4-yl)methyl]sulfamoyl]furan-2-carboxylic acid (CID 63236452) is 5-[methyl-[(1-methylpiperidin-4-yl)methyl]sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[methyl-[(1-methylpiperidin-4-yl)methyl]sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[methyl-[(1-methylpiperidin-4-yl)methyl]sulfamoyl]furan-2-carboxylic acid is CN1CCC(CN(C)S(=O)(=O)c2ccc(C(=O)O)o2)CC1.
What is the InChIKey of 5-[methyl-[(1-methylpiperidin-4-yl)methyl]sulfamoyl]furan-2-carboxylic acid?
The InChIKey is RBXOOTBWWSWKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S/c1-14-7-5-10(6-8-14)9-15(2)21(18,19)12-4-3-11(20-12)13(16)17/h3-4,10H,5-9H2,1-2H3,(H,16,17).
What are the key properties of 5-[methyl-[(1-methylpiperidin-4-yl)methyl]sulfamoyl]furan-2-carboxylic acid?
5-[methyl-[(1-methylpiperidin-4-yl)methyl]sulfamoyl]furan-2-carboxylic acid has a molecular weight of 316.38 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl-[(1-methylpiperidin-4-yl)methyl]sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 63236452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).