5-(methylaminomethyl)-N-[2-(methylsulfamoyl)ethyl]furan-2-sulfonamide

C9H17N3O5S2 — CID 106342936

IUPAC5-(methylaminomethyl)-N-[2-(methylsulfamoyl)ethyl]furan-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)NCCS(=O)(=O)NC)o1
InChIInChI=1S/C9H17N3O5S2/c1-10-7-8-3-4-9(17-8)19(15,16)12-5-6-18(13,14)11-2/h3-4,10-12H,5-7H2,1-2H3
InChIKeyCFSBQNGAHHQCQS-UHFFFAOYSA-N
MW311.39 g/mol
LogP-1.17
Rot. Bonds8

About 5-(methylaminomethyl)-N-[2-(methylsulfamoyl)ethyl]furan-2-sulfonamide

5-(methylaminomethyl)-N-[2-(methylsulfamoyl)ethyl]furan-2-sulfonamide (PubChem CID 106342936) has the molecular formula C9H17N3O5S2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 5-(methylaminomethyl)-N-[2-(methylsulfamoyl)ethyl]furan-2-sulfonamide.

Molecular Properties

Compound Name5-(methylaminomethyl)-N-[2-(methylsulfamoyl)ethyl]furan-2-sulfonamide
PubChem CID106342936
Molecular FormulaC9H17N3O5S2
Molecular Weight311.39 g/mol
Exact Mass311.06
IUPAC Name5-(methylaminomethyl)-N-[2-(methylsulfamoyl)ethyl]furan-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)NCCS(=O)(=O)NC)o1
InChIInChI=1S/C9H17N3O5S2/c1-10-7-8-3-4-9(17-8)19(15,16)12-5-6-18(13,14)11-2/h3-4,10-12H,5-7H2,1-2H3
InChIKeyCFSBQNGAHHQCQS-UHFFFAOYSA-N
XLogP-1.17
TPSA117.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 5-1.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(methylsulfamoyl)ethylsulfamoyl]furan-2-carboxylic acid
CID 106335110
N-(4-hydroxypentyl)-5-(methylaminomethyl)furan-2-sulfonamide
CID 106137737
N-[2-[cyclopropyl(methyl)amino]ethyl]-5-(methylaminomethyl)furan-2-sulfonamide
CID 106062802
N-[2-[cyclopropyl(ethyl)amino]ethyl]-5-(methylaminomethyl)furan-2-sulfonamide
CID 106094078
5-(methylaminomethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]furan-2-sulfonamide
CID 80686304
5-(aminomethyl)-N-(2-ethylsulfonylethyl)furan-2-sulfonamide
CID 114112494
5-(methylaminomethyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]furan-2-sulfonamide
CID 106068159
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-(methylaminomethyl)furan-2-sulfonamide
CID 115366259
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-(methylaminomethyl)furan-2-sulfonamide
CID 106377727
5-(ethylaminomethyl)-N-(4-hydroxybutyl)furan-2-sulfonamide
CID 106846834
N-(2-fluoro-4-methylphenyl)-5-(methylaminomethyl)furan-2-sulfonamide
CID 106031076
N-(3-chloro-5-fluorophenyl)-5-(methylaminomethyl)furan-2-sulfonamide
CID 106087933

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-N-[2-(methylsulfamoyl)ethyl]furan-2-sulfonamide?
The IUPAC name of 5-(methylaminomethyl)-N-[2-(methylsulfamoyl)ethyl]furan-2-sulfonamide (CID 106342936) is 5-(methylaminomethyl)-N-[2-(methylsulfamoyl)ethyl]furan-2-sulfonamide.
What is the SMILES notation for 5-(methylaminomethyl)-N-[2-(methylsulfamoyl)ethyl]furan-2-sulfonamide?
The canonical SMILES for 5-(methylaminomethyl)-N-[2-(methylsulfamoyl)ethyl]furan-2-sulfonamide is CNCc1ccc(S(=O)(=O)NCCS(=O)(=O)NC)o1.
What is the InChIKey of 5-(methylaminomethyl)-N-[2-(methylsulfamoyl)ethyl]furan-2-sulfonamide?
The InChIKey is CFSBQNGAHHQCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O5S2/c1-10-7-8-3-4-9(17-8)19(15,16)12-5-6-18(13,14)11-2/h3-4,10-12H,5-7H2,1-2H3.
What are the key properties of 5-(methylaminomethyl)-N-[2-(methylsulfamoyl)ethyl]furan-2-sulfonamide?
5-(methylaminomethyl)-N-[2-(methylsulfamoyl)ethyl]furan-2-sulfonamide has a molecular weight of 311.39 g/mol, XLogP of -1.17, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-N-[2-(methylsulfamoyl)ethyl]furan-2-sulfonamide is sourced from PubChem (CID 106342936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).