5-[methyl(2-pyrrolidin-1-ylethyl)sulfamoyl]furan-2-carboxylic acid

C12H18N2O5S — CID 63207582

IUPAC5-[methyl(2-pyrrolidin-1-ylethyl)sulfamoyl]furan-2-carboxylic acid
SMILESCN(CCN1CCCC1)S(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C12H18N2O5S/c1-13(8-9-14-6-2-3-7-14)20(17,18)11-5-4-10(19-11)12(15)16/h4-5H,2-3,6-9H2,1H3,(H,15,16)
InChIKeyANOIKVPZWFKXAX-UHFFFAOYSA-N
MW302.35 g/mol
LogP0.69
Rot. Bonds6

About 5-[methyl(2-pyrrolidin-1-ylethyl)sulfamoyl]furan-2-carboxylic acid

5-[methyl(2-pyrrolidin-1-ylethyl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 63207582) has the molecular formula C12H18N2O5S and a molecular weight of 302.35 g/mol. Its IUPAC name is 5-[methyl(2-pyrrolidin-1-ylethyl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[methyl(2-pyrrolidin-1-ylethyl)sulfamoyl]furan-2-carboxylic acid
PubChem CID63207582
Molecular FormulaC12H18N2O5S
Molecular Weight302.35 g/mol
Exact Mass302.09
IUPAC Name5-[methyl(2-pyrrolidin-1-ylethyl)sulfamoyl]furan-2-carboxylic acid
SMILESCN(CCN1CCCC1)S(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C12H18N2O5S/c1-13(8-9-14-6-2-3-7-14)20(17,18)11-5-4-10(19-11)12(15)16/h4-5H,2-3,6-9H2,1H3,(H,15,16)
InChIKeyANOIKVPZWFKXAX-UHFFFAOYSA-N
XLogP0.69
TPSA91.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-methoxypropyl(methyl)sulfamoyl]furan-2-carboxylic acid
CID 62986254
5-[methyl-[(1-methylpiperidin-4-yl)methyl]sulfamoyl]furan-2-carboxylic acid
CID 63236452
5-[methyl(2-thiophen-2-ylethyl)sulfamoyl]furan-2-carboxylic acid
CID 79486620
5-[methyl(2-pyridin-2-ylethyl)sulfamoyl]furan-2-carboxylic acid
CID 29077623
5-[cyclohexyl(methyl)sulfamoyl]furan-2-carboxylic acid
CID 43149844
4-(2-aminoethyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 63208977
5-[(4-bromothiophen-2-yl)methyl-methylsulfamoyl]furan-2-carboxylic acid
CID 60951027
4-(aminomethyl)-2-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 79179859
5-[butan-2-yl(methyl)sulfamoyl]furan-2-carboxylic acid
CID 43272665
N-[4-[methyl(2-piperidin-1-ylethyl)sulfamoyl]phenyl]acetamide
CID 110753478
5-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]furan-2-carboxylic acid
CID 60951268
2-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 63207567

Frequently Asked Questions

What is the IUPAC name of 5-[methyl(2-pyrrolidin-1-ylethyl)sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[methyl(2-pyrrolidin-1-ylethyl)sulfamoyl]furan-2-carboxylic acid (CID 63207582) is 5-[methyl(2-pyrrolidin-1-ylethyl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[methyl(2-pyrrolidin-1-ylethyl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[methyl(2-pyrrolidin-1-ylethyl)sulfamoyl]furan-2-carboxylic acid is CN(CCN1CCCC1)S(=O)(=O)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[methyl(2-pyrrolidin-1-ylethyl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is ANOIKVPZWFKXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S/c1-13(8-9-14-6-2-3-7-14)20(17,18)11-5-4-10(19-11)12(15)16/h4-5H,2-3,6-9H2,1H3,(H,15,16).
What are the key properties of 5-[methyl(2-pyrrolidin-1-ylethyl)sulfamoyl]furan-2-carboxylic acid?
5-[methyl(2-pyrrolidin-1-ylethyl)sulfamoyl]furan-2-carboxylic acid has a molecular weight of 302.35 g/mol, XLogP of 0.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(2-pyrrolidin-1-ylethyl)sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 63207582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).