5-[[2-(methanesulfonamido)ethylamino]methyl]furan-2-carboxylic acid

C9H14N2O5S — CID 55203550

IUPAC5-[[2-(methanesulfonamido)ethylamino]methyl]furan-2-carboxylic acid
SMILESCS(=O)(=O)NCCNCc1ccc(C(=O)O)o1
InChIInChI=1S/C9H14N2O5S/c1-17(14,15)11-5-4-10-6-7-2-3-8(16-7)9(12)13/h2-3,10-11H,4-6H2,1H3,(H,12,13)
InChIKeyNJDLWRFAHRGTDM-UHFFFAOYSA-N
MW262.29 g/mol
LogP-0.38
Rot. Bonds7

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

5-[[2-(methanesulfonamido)ethylamino]methyl]furan-2-carboxylic acid (PubChem CID 55203550) has the molecular formula C9H14N2O5S and a molecular weight of 262.29 g/mol. Its IUPAC name is 5-[[2-(methanesulfonamido)ethylamino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(methanesulfonamido)ethylamino]methyl]furan-2-carboxylic acid
PubChem CID55203550
Molecular FormulaC9H14N2O5S
Molecular Weight262.29 g/mol
Exact Mass262.06
IUPAC Name5-[[2-(methanesulfonamido)ethylamino]methyl]furan-2-carboxylic acid
SMILESCS(=O)(=O)NCCNCc1ccc(C(=O)O)o1
InChIInChI=1S/C9H14N2O5S/c1-17(14,15)11-5-4-10-6-7-2-3-8(16-7)9(12)13/h2-3,10-11H,4-6H2,1H3,(H,12,13)
InChIKeyNJDLWRFAHRGTDM-UHFFFAOYSA-N
XLogP-0.38
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[3-(methanesulfonamido)propyl]furan-2-carboxylic acid
CID 22246769
5-[(methylsulfonylmethylsulfonylamino)methyl]furan-2-carboxylic acid
CID 82839821
5-[[(5-methylfuran-2-yl)methylamino]methyl]furan-2-carboxylic acid
CID 63317717
5-[[[3-oxo-3-(propan-2-ylamino)propyl]amino]methyl]furan-2-carboxylic acid
CID 113409692
5-[(azepan-1-ylsulfonylamino)methyl]furan-2-carboxylic acid
CID 75356375
3-[[2-(methanesulfonamido)ethylamino]methyl]furan-2-carboxylic acid
CID 103238998
5-[[[2-oxo-2-(propylamino)ethyl]amino]methyl]furan-2-carboxylic acid
CID 63316686
5-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]furan-2-carboxylic acid
CID 115359103
5-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]methyl]furan-2-carboxylic acid
CID 107241247
5-[[3-(2-hydroxyethoxy)propylamino]methyl]furan-2-carboxylic acid
CID 106305544
5-[[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]methyl]furan-2-carboxylic acid
CID 63317125
5-[[3-(3,5-dimethylpyrazol-1-yl)propylamino]methyl]furan-2-carboxylic acid
CID 114536261

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(methanesulfonamido)ethylamino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[2-(methanesulfonamido)ethylamino]methyl]furan-2-carboxylic acid (CID 55203550) is 5-[[2-(methanesulfonamido)ethylamino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[2-(methanesulfonamido)ethylamino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[2-(methanesulfonamido)ethylamino]methyl]furan-2-carboxylic acid is CS(=O)(=O)NCCNCc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[[2-(methanesulfonamido)ethylamino]methyl]furan-2-carboxylic acid?
The InChIKey is NJDLWRFAHRGTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O5S/c1-17(14,15)11-5-4-10-6-7-2-3-8(16-7)9(12)13/h2-3,10-11H,4-6H2,1H3,(H,12,13).
What are the key properties of 5-[[2-(methanesulfonamido)ethylamino]methyl]furan-2-carboxylic acid?
5-[[2-(methanesulfonamido)ethylamino]methyl]furan-2-carboxylic acid has a molecular weight of 262.29 g/mol, XLogP of -0.38, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(methanesulfonamido)ethylamino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 55203550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).