2-methyl-5-[(methylsulfamoylamino)methyl]furan-3-carboxylic acid

C8H12N2O5S — CID 114805755

IUPAC2-methyl-5-[(methylsulfamoylamino)methyl]furan-3-carboxylic acid
SMILESCNS(=O)(=O)NCc1cc(C(=O)O)c(C)o1
InChIInChI=1S/C8H12N2O5S/c1-5-7(8(11)12)3-6(15-5)4-10-16(13,14)9-2/h3,9-10H,4H2,1-2H3,(H,11,12)
InChIKeyDRYILQJJNQJQJB-UHFFFAOYSA-N
MW248.26 g/mol
LogP-0.16
Rot. Bonds5

About 2-methyl-5-[(methylsulfamoylamino)methyl]furan-3-carboxylic acid

2-methyl-5-[(methylsulfamoylamino)methyl]furan-3-carboxylic acid (PubChem CID 114805755) has the molecular formula C8H12N2O5S and a molecular weight of 248.26 g/mol. Its IUPAC name is 2-methyl-5-[(methylsulfamoylamino)methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[(methylsulfamoylamino)methyl]furan-3-carboxylic acid
PubChem CID114805755
Molecular FormulaC8H12N2O5S
Molecular Weight248.26 g/mol
Exact Mass248.05
IUPAC Name2-methyl-5-[(methylsulfamoylamino)methyl]furan-3-carboxylic acid
SMILESCNS(=O)(=O)NCc1cc(C(=O)O)c(C)o1
InChIInChI=1S/C8H12N2O5S/c1-5-7(8(11)12)3-6(15-5)4-10-16(13,14)9-2/h3,9-10H,4H2,1-2H3,(H,11,12)
InChIKeyDRYILQJJNQJQJB-UHFFFAOYSA-N
XLogP-0.16
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]furan-3-carboxylic acid
CID 61455879
2-methyl-5-[(4-methylpentanoylamino)methyl]furan-3-carboxylic acid
CID 54907438
2-methyl-5-[[[3-(methylamino)-3-oxopropyl]amino]methyl]furan-3-carboxylic acid
CID 103245932
5-[[[2-(methoxymethyl)phenyl]sulfonylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 154741050
2-methyl-5-[(2-methylbutan-2-ylamino)methyl]furan-3-carboxylic acid
CID 103230898
2-methyl-5-[(prop-2-enoylamino)methyl]furan-3-carboxylic acid
CID 61025083
2-methyl-5-[[(3-methylpyrazin-2-yl)amino]methyl]furan-3-carboxylic acid
CID 83063021
5-[[[5-(ethylamino)-5-oxopentanoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226813
5-[[(3-amino-3-oxopropyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 103238811
5-[(2-chloroprop-2-enylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 113464825
5-[(2,3-dihydro-1-benzofuran-6-ylsulfonylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 166236413
5-[(2,3-dihydro-1-benzofuran-7-ylsulfonylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 139013810

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(methylsulfamoylamino)methyl]furan-3-carboxylic acid?
The IUPAC name of 2-methyl-5-[(methylsulfamoylamino)methyl]furan-3-carboxylic acid (CID 114805755) is 2-methyl-5-[(methylsulfamoylamino)methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[(methylsulfamoylamino)methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-[(methylsulfamoylamino)methyl]furan-3-carboxylic acid is CNS(=O)(=O)NCc1cc(C(=O)O)c(C)o1.
What is the InChIKey of 2-methyl-5-[(methylsulfamoylamino)methyl]furan-3-carboxylic acid?
The InChIKey is DRYILQJJNQJQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O5S/c1-5-7(8(11)12)3-6(15-5)4-10-16(13,14)9-2/h3,9-10H,4H2,1-2H3,(H,11,12).
What are the key properties of 2-methyl-5-[(methylsulfamoylamino)methyl]furan-3-carboxylic acid?
2-methyl-5-[(methylsulfamoylamino)methyl]furan-3-carboxylic acid has a molecular weight of 248.26 g/mol, XLogP of -0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(methylsulfamoylamino)methyl]furan-3-carboxylic acid is sourced from PubChem (CID 114805755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).