5-[[[2-[methyl(methylsulfonyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid

C10H14N2O6S — CID 119245685

IUPAC5-[[[2-[methyl(methylsulfonyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid
SMILESCN(CC(=O)NCc1ccc(C(=O)O)o1)S(C)(=O)=O
InChIInChI=1S/C10H14N2O6S/c1-12(19(2,16)17)6-9(13)11-5-7-3-4-8(18-7)10(14)15/h3-4H,5-6H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyJHPXMUAUEQCFCZ-UHFFFAOYSA-N
MW290.30 g/mol
LogP-0.51
Rot. Bonds6

About 5-[[[2-[methyl(methylsulfonyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid

5-[[[2-[methyl(methylsulfonyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid (PubChem CID 119245685) has the molecular formula C10H14N2O6S and a molecular weight of 290.30 g/mol. Its IUPAC name is 5-[[[2-[methyl(methylsulfonyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[2-[methyl(methylsulfonyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid
PubChem CID119245685
Molecular FormulaC10H14N2O6S
Molecular Weight290.30 g/mol
Exact Mass290.06
IUPAC Name5-[[[2-[methyl(methylsulfonyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid
SMILESCN(CC(=O)NCc1ccc(C(=O)O)o1)S(C)(=O)=O
InChIInChI=1S/C10H14N2O6S/c1-12(19(2,16)17)6-9(13)11-5-7-3-4-8(18-7)10(14)15/h3-4H,5-6H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyJHPXMUAUEQCFCZ-UHFFFAOYSA-N
XLogP-0.51
TPSA116.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[[2-[acetyl(methyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid
CID 79021920
N-[(4-fluorophenyl)methyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464785
5-[[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid
CID 120527270
5-[[[4-oxo-4-(propylamino)butanoyl]amino]methyl]furan-2-carboxylic acid
CID 119246000
5-[[3-(4-ethylphenyl)propanoylamino]methyl]furan-2-carboxylic acid
CID 119246024
5-[[[2-[methyl(2-morpholin-4-ylpropyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid
CID 134706242
5-[(methylsulfonylmethylsulfonylamino)methyl]furan-2-carboxylic acid
CID 82839821
5-[[2-(methanesulfonamido)ethylamino]methyl]furan-2-carboxylic acid
CID 55203550
5-[[[2-(3-methylphenyl)acetyl]amino]methyl]furan-2-carboxylic acid
CID 75356368
5-[(3-propan-2-yloxypropanoylamino)methyl]furan-2-carboxylic acid
CID 119245773
5-[[4-(4-methylphenyl)butanoylamino]methyl]furan-2-carboxylic acid
CID 119245690
5-[[[2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetyl]amino]methyl]furan-2-carboxylic acid
CID 122564412

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-[methyl(methylsulfonyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[[2-[methyl(methylsulfonyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid (CID 119245685) is 5-[[[2-[methyl(methylsulfonyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[[2-[methyl(methylsulfonyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[[2-[methyl(methylsulfonyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid is CN(CC(=O)NCc1ccc(C(=O)O)o1)S(C)(=O)=O.
What is the InChIKey of 5-[[[2-[methyl(methylsulfonyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid?
The InChIKey is JHPXMUAUEQCFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O6S/c1-12(19(2,16)17)6-9(13)11-5-7-3-4-8(18-7)10(14)15/h3-4H,5-6H2,1-2H3,(H,11,13)(H,14,15).
What are the key properties of 5-[[[2-[methyl(methylsulfonyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid?
5-[[[2-[methyl(methylsulfonyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid has a molecular weight of 290.30 g/mol, XLogP of -0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-[methyl(methylsulfonyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 119245685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).