5-[(methylsulfonylmethylsulfonylamino)methyl]furan-2-carboxylic acid

C8H11NO7S2 — CID 82839821

IUPAC5-[(methylsulfonylmethylsulfonylamino)methyl]furan-2-carboxylic acid
SMILESCS(=O)(=O)CS(=O)(=O)NCc1ccc(C(=O)O)o1
InChIInChI=1S/C8H11NO7S2/c1-17(12,13)5-18(14,15)9-4-6-2-3-7(16-6)8(10)11/h2-3,9H,4-5H2,1H3,(H,10,11)
InChIKeyOMTPBEAFCGFCBS-UHFFFAOYSA-N
MW297.31 g/mol
LogP-0.60
Rot. Bonds6

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

5-[(methylsulfonylmethylsulfonylamino)methyl]furan-2-carboxylic acid (PubChem CID 82839821) has the molecular formula C8H11NO7S2 and a molecular weight of 297.31 g/mol. Its IUPAC name is 5-[(methylsulfonylmethylsulfonylamino)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(methylsulfonylmethylsulfonylamino)methyl]furan-2-carboxylic acid
PubChem CID82839821
Molecular FormulaC8H11NO7S2
Molecular Weight297.31 g/mol
Exact Mass297.00
IUPAC Name5-[(methylsulfonylmethylsulfonylamino)methyl]furan-2-carboxylic acid
SMILESCS(=O)(=O)CS(=O)(=O)NCc1ccc(C(=O)O)o1
InChIInChI=1S/C8H11NO7S2/c1-17(12,13)5-18(14,15)9-4-6-2-3-7(16-6)8(10)11/h2-3,9H,4-5H2,1H3,(H,10,11)
InChIKeyOMTPBEAFCGFCBS-UHFFFAOYSA-N
XLogP-0.60
TPSA130.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[2-(methanesulfonamido)ethylamino]methyl]furan-2-carboxylic acid
CID 55203550
5-[(azepan-1-ylsulfonylamino)methyl]furan-2-carboxylic acid
CID 75356375
5-[3-(methanesulfonamido)propyl]furan-2-carboxylic acid
CID 22246769
5-[[(2-methylpyrazol-3-yl)sulfonylamino]methyl]furan-2-carboxylic acid
CID 104709706
5-[[(2,6-dimethylmorpholin-4-yl)sulfonylamino]methyl]furan-2-carboxylic acid
CID 79993346
5-[[[2-[methyl(methylsulfonyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid
CID 119245685
5-[[(5-methylfuran-2-yl)methylamino]methyl]furan-2-carboxylic acid
CID 63317717
5-[[(3,4-dichlorophenyl)sulfonylamino]methyl]furan-2-carboxylic acid
CID 79993357
5-[[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]methyl]furan-2-carboxylic acid
CID 79994409
6-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]hexanoic acid
CID 119352313
5-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]furan-2-carboxylic acid
CID 63317797
5-[(4-bromo-2,6-dimethylanilino)methyl]furan-2-carboxylic acid
CID 55205653

Frequently Asked Questions

What is the IUPAC name of 5-[(methylsulfonylmethylsulfonylamino)methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(methylsulfonylmethylsulfonylamino)methyl]furan-2-carboxylic acid (CID 82839821) is 5-[(methylsulfonylmethylsulfonylamino)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(methylsulfonylmethylsulfonylamino)methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(methylsulfonylmethylsulfonylamino)methyl]furan-2-carboxylic acid is CS(=O)(=O)CS(=O)(=O)NCc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[(methylsulfonylmethylsulfonylamino)methyl]furan-2-carboxylic acid?
The InChIKey is OMTPBEAFCGFCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO7S2/c1-17(12,13)5-18(14,15)9-4-6-2-3-7(16-6)8(10)11/h2-3,9H,4-5H2,1H3,(H,10,11).
What are the key properties of 5-[(methylsulfonylmethylsulfonylamino)methyl]furan-2-carboxylic acid?
5-[(methylsulfonylmethylsulfonylamino)methyl]furan-2-carboxylic acid has a molecular weight of 297.31 g/mol, XLogP of -0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(methylsulfonylmethylsulfonylamino)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 82839821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).