5-[[3-(methanesulfonamido)propylamino]methyl]furan-3-carboxylic acid

C10H16N2O5S — CID 106332873

IUPAC5-[[3-(methanesulfonamido)propylamino]methyl]furan-3-carboxylic acid
SMILESCS(=O)(=O)NCCCNCc1cc(C(=O)O)co1
InChIInChI=1S/C10H16N2O5S/c1-18(15,16)12-4-2-3-11-6-9-5-8(7-17-9)10(13)14/h5,7,11-12H,2-4,6H2,1H3,(H,13,14)
InChIKeyARPMBKAMSQHGGS-UHFFFAOYSA-N
MW276.31 g/mol
LogP0.01
Rot. Bonds8

About 5-[[3-(methanesulfonamido)propylamino]methyl]furan-3-carboxylic acid

5-[[3-(methanesulfonamido)propylamino]methyl]furan-3-carboxylic acid (PubChem CID 106332873) has the molecular formula C10H16N2O5S and a molecular weight of 276.31 g/mol. Its IUPAC name is 5-[[3-(methanesulfonamido)propylamino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[[3-(methanesulfonamido)propylamino]methyl]furan-3-carboxylic acid
PubChem CID106332873
Molecular FormulaC10H16N2O5S
Molecular Weight276.31 g/mol
Exact Mass276.08
IUPAC Name5-[[3-(methanesulfonamido)propylamino]methyl]furan-3-carboxylic acid
SMILESCS(=O)(=O)NCCCNCc1cc(C(=O)O)co1
InChIInChI=1S/C10H16N2O5S/c1-18(15,16)12-4-2-3-11-6-9-5-8(7-17-9)10(13)14/h5,7,11-12H,2-4,6H2,1H3,(H,13,14)
InChIKeyARPMBKAMSQHGGS-UHFFFAOYSA-N
XLogP0.01
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 50.01
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-[[(5-amino-5-oxopentyl)amino]methyl]furan-3-carboxylic acid
CID 106233678
5-[[[3-(ethylamino)-3-oxopropyl]amino]methyl]furan-3-carboxylic acid
CID 104609338
5-[(1-methylsulfonylpropan-2-ylamino)methyl]furan-3-carboxylic acid
CID 104608992
5-[[2-(4-methoxyphenyl)ethylamino]methyl]furan-3-carboxylic acid
CID 104607952
5-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]furan-3-carboxylic acid
CID 104608731
2-[2-[[3-(methanesulfonamido)propylamino]methyl]phenyl]acetic acid
CID 106336801
methyl 5-[[2-(ethylsulfamoyl)ethylamino]methyl]furan-3-carboxylate
CID 104586193
5-[[(4-bromophenyl)methylamino]methyl]furan-3-carboxylic acid
CID 104608030
5-[[2-(methanesulfonamido)ethylamino]methyl]furan-2-carboxylic acid
CID 55203550
methyl 5-[(2-sulfamoylethylamino)methyl]furan-3-carboxylate
CID 104608224
5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]furan-3-carboxylic acid
CID 104608825
5-[[(4-methylmorpholin-2-yl)methylamino]methyl]furan-3-carboxylic acid
CID 113432530

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(methanesulfonamido)propylamino]methyl]furan-3-carboxylic acid?
The IUPAC name of 5-[[3-(methanesulfonamido)propylamino]methyl]furan-3-carboxylic acid (CID 106332873) is 5-[[3-(methanesulfonamido)propylamino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[[3-(methanesulfonamido)propylamino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[[3-(methanesulfonamido)propylamino]methyl]furan-3-carboxylic acid is CS(=O)(=O)NCCCNCc1cc(C(=O)O)co1.
What is the InChIKey of 5-[[3-(methanesulfonamido)propylamino]methyl]furan-3-carboxylic acid?
The InChIKey is ARPMBKAMSQHGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5S/c1-18(15,16)12-4-2-3-11-6-9-5-8(7-17-9)10(13)14/h5,7,11-12H,2-4,6H2,1H3,(H,13,14).
What are the key properties of 5-[[3-(methanesulfonamido)propylamino]methyl]furan-3-carboxylic acid?
5-[[3-(methanesulfonamido)propylamino]methyl]furan-3-carboxylic acid has a molecular weight of 276.31 g/mol, XLogP of 0.01, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(methanesulfonamido)propylamino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 106332873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).