3-[[2-(methanesulfonamido)ethylamino]methyl]furan-2-carboxylic acid

C9H14N2O5S — CID 103238998

IUPAC3-[[2-(methanesulfonamido)ethylamino]methyl]furan-2-carboxylic acid
SMILESCS(=O)(=O)NCCNCc1ccoc1C(=O)O
InChIInChI=1S/C9H14N2O5S/c1-17(14,15)11-4-3-10-6-7-2-5-16-8(7)9(12)13/h2,5,10-11H,3-4,6H2,1H3,(H,12,13)
InChIKeyMJPDWVINTWSTDF-UHFFFAOYSA-N
MW262.29 g/mol
LogP-0.38
Rot. Bonds7

About 3-[[2-(methanesulfonamido)ethylamino]methyl]furan-2-carboxylic acid

3-[[2-(methanesulfonamido)ethylamino]methyl]furan-2-carboxylic acid (PubChem CID 103238998) has the molecular formula C9H14N2O5S and a molecular weight of 262.29 g/mol. Its IUPAC name is 3-[[2-(methanesulfonamido)ethylamino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(methanesulfonamido)ethylamino]methyl]furan-2-carboxylic acid
PubChem CID103238998
Molecular FormulaC9H14N2O5S
Molecular Weight262.29 g/mol
Exact Mass262.06
IUPAC Name3-[[2-(methanesulfonamido)ethylamino]methyl]furan-2-carboxylic acid
SMILESCS(=O)(=O)NCCNCc1ccoc1C(=O)O
InChIInChI=1S/C9H14N2O5S/c1-17(14,15)11-4-3-10-6-7-2-5-16-8(7)9(12)13/h2,5,10-11H,3-4,6H2,1H3,(H,12,13)
InChIKeyMJPDWVINTWSTDF-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'}

Analyze 3-[[2-(methanesulfonamido)ethylamino]methyl]furan-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[3-[ethyl(methylsulfonyl)amino]propylamino]methyl]furan-2-carboxylic acid
CID 103241515
3-[[[3-(tert-butylamino)-3-oxopropyl]amino]methyl]furan-2-carboxylic acid
CID 103263112
3-[(3-hydroxypropylamino)methyl]furan-2-carboxylic acid
CID 103238182
3-[(hexylamino)methyl]furan-2-carboxylic acid
CID 103251780
3-[(3-methylsulfanylpropylamino)methyl]furan-2-carboxylic acid
CID 103251997
3-[[2-(2-hydroxyethoxy)ethylamino]methyl]furan-2-carboxylic acid
CID 103248940
5-[[2-(methanesulfonamido)ethylamino]methyl]furan-2-carboxylic acid
CID 55203550
3-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]furan-2-carboxylic acid
CID 103265333
3-[[[2-(diethylamino)-2-oxoethyl]amino]methyl]furan-2-carboxylic acid
CID 103263564
3-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]furan-2-carboxylic acid
CID 103251695
3-[[(4-bromophenyl)methylamino]methyl]furan-2-carboxylic acid
CID 103234932
methyl 3-[(2-ethylsulfonylethylamino)methyl]furan-2-carboxylate
CID 103921879

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(methanesulfonamido)ethylamino]methyl]furan-2-carboxylic acid?
The IUPAC name of 3-[[2-(methanesulfonamido)ethylamino]methyl]furan-2-carboxylic acid (CID 103238998) is 3-[[2-(methanesulfonamido)ethylamino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 3-[[2-(methanesulfonamido)ethylamino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 3-[[2-(methanesulfonamido)ethylamino]methyl]furan-2-carboxylic acid is CS(=O)(=O)NCCNCc1ccoc1C(=O)O.
What is the InChIKey of 3-[[2-(methanesulfonamido)ethylamino]methyl]furan-2-carboxylic acid?
The InChIKey is MJPDWVINTWSTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O5S/c1-17(14,15)11-4-3-10-6-7-2-5-16-8(7)9(12)13/h2,5,10-11H,3-4,6H2,1H3,(H,12,13).
What are the key properties of 3-[[2-(methanesulfonamido)ethylamino]methyl]furan-2-carboxylic acid?
3-[[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 3-[[2-(methanesulfonamido)ethylamino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 103238998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).