5-(aminomethyl)-N-(2-ethylsulfonylethyl)furan-2-sulfonamide

C9H16N2O5S2 — CID 114112494

IUPAC5-(aminomethyl)-N-(2-ethylsulfonylethyl)furan-2-sulfonamide
SMILESCCS(=O)(=O)CCNS(=O)(=O)c1ccc(CN)o1
InChIInChI=1S/C9H16N2O5S2/c1-2-17(12,13)6-5-11-18(14,15)9-4-3-8(7-10)16-9/h3-4,11H,2,5-7,10H2,1H3
InChIKeyJVVWFTVFYCCQPI-UHFFFAOYSA-N
MW296.37 g/mol
LogP-0.55
Rot. Bonds7

About 5-(aminomethyl)-N-(2-ethylsulfonylethyl)furan-2-sulfonamide

5-(aminomethyl)-N-(2-ethylsulfonylethyl)furan-2-sulfonamide (PubChem CID 114112494) has the molecular formula C9H16N2O5S2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2-ethylsulfonylethyl)furan-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2-ethylsulfonylethyl)furan-2-sulfonamide
PubChem CID114112494
Molecular FormulaC9H16N2O5S2
Molecular Weight296.37 g/mol
Exact Mass296.05
IUPAC Name5-(aminomethyl)-N-(2-ethylsulfonylethyl)furan-2-sulfonamide
SMILESCCS(=O)(=O)CCNS(=O)(=O)c1ccc(CN)o1
InChIInChI=1S/C9H16N2O5S2/c1-2-17(12,13)6-5-11-18(14,15)9-4-3-8(7-10)16-9/h3-4,11H,2,5-7,10H2,1H3
InChIKeyJVVWFTVFYCCQPI-UHFFFAOYSA-N
XLogP-0.55
TPSA119.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(aminomethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]furan-2-sulfonamide
CID 106050572
5-(aminomethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]furan-2-sulfonamide
CID 114516893
5-(aminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]furan-2-sulfonamide
CID 106085204
5-(aminomethyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]furan-2-sulfonamide
CID 80686088
5-(aminomethyl)-N-(2-prop-2-enylsulfanylethyl)furan-2-sulfonamide
CID 114188352
5-(methylaminomethyl)-N-[2-(methylsulfamoyl)ethyl]furan-2-sulfonamide
CID 106342936
5-(aminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]furan-2-sulfonamide
CID 106028482
5-(aminomethyl)-N-(4-hydroxybutan-2-yl)furan-2-sulfonamide
CID 83180119
5-(aminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-sulfonamide
CID 114137289
5-(ethylaminomethyl)-N-(4-hydroxybutyl)furan-2-sulfonamide
CID 106846834
5-(aminomethyl)-N-(3-ethoxycyclobutyl)furan-2-sulfonamide
CID 114120981
5-(aminomethyl)-N-(1-methylsulfinylpropan-2-yl)furan-2-sulfonamide
CID 113486780

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2-ethylsulfonylethyl)furan-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(2-ethylsulfonylethyl)furan-2-sulfonamide (CID 114112494) is 5-(aminomethyl)-N-(2-ethylsulfonylethyl)furan-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2-ethylsulfonylethyl)furan-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(2-ethylsulfonylethyl)furan-2-sulfonamide is CCS(=O)(=O)CCNS(=O)(=O)c1ccc(CN)o1.
What is the InChIKey of 5-(aminomethyl)-N-(2-ethylsulfonylethyl)furan-2-sulfonamide?
The InChIKey is JVVWFTVFYCCQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O5S2/c1-2-17(12,13)6-5-11-18(14,15)9-4-3-8(7-10)16-9/h3-4,11H,2,5-7,10H2,1H3.
What are the key properties of 5-(aminomethyl)-N-(2-ethylsulfonylethyl)furan-2-sulfonamide?
5-(aminomethyl)-N-(2-ethylsulfonylethyl)furan-2-sulfonamide has a molecular weight of 296.37 g/mol, XLogP of -0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2-ethylsulfonylethyl)furan-2-sulfonamide is sourced from PubChem (CID 114112494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).