5-(ethylaminomethyl)-N-(4-hydroxybutyl)furan-2-sulfonamide

C11H20N2O4S — CID 106846834

IUPAC5-(ethylaminomethyl)-N-(4-hydroxybutyl)furan-2-sulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NCCCCO)o1
InChIInChI=1S/C11H20N2O4S/c1-2-12-9-10-5-6-11(17-10)18(15,16)13-7-3-4-8-14/h5-6,12-14H,2-4,7-9H2,1H3
InChIKeyUXVRLHNCJDNJJS-UHFFFAOYSA-N
MW276.36 g/mol
LogP0.44
Rot. Bonds9

About 5-(ethylaminomethyl)-N-(4-hydroxybutyl)furan-2-sulfonamide

5-(ethylaminomethyl)-N-(4-hydroxybutyl)furan-2-sulfonamide (PubChem CID 106846834) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-(4-hydroxybutyl)furan-2-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-(4-hydroxybutyl)furan-2-sulfonamide
PubChem CID106846834
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC Name5-(ethylaminomethyl)-N-(4-hydroxybutyl)furan-2-sulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NCCCCO)o1
InChIInChI=1S/C11H20N2O4S/c1-2-12-9-10-5-6-11(17-10)18(15,16)13-7-3-4-8-14/h5-6,12-14H,2-4,7-9H2,1H3
InChIKeyUXVRLHNCJDNJJS-UHFFFAOYSA-N
XLogP0.44
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 50.44
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-[(cyclopropylamino)methyl]-N-(5-hydroxypentyl)furan-2-sulfonamide
CID 107323800
5-(ethylaminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]furan-2-sulfonamide
CID 106433466
N-(2-but-3-enoxyethyl)-5-(ethylaminomethyl)furan-2-sulfonamide
CID 106410034
5-[(4-hydroxybutylamino)methyl]furan-2-sulfonamide
CID 106841053
5-(ethylaminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]furan-2-sulfonamide
CID 106410018
5-(ethylaminomethyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]furan-2-sulfonamide
CID 115457142
5-(ethylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)furan-2-sulfonamide
CID 106423367
5-(ethylaminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]furan-2-sulfonamide
CID 106106529
N-(2-bromoprop-2-enyl)-5-(propylaminomethyl)furan-2-sulfonamide
CID 113465229
5-(ethylaminomethyl)-N-(3-methylpentan-3-yl)furan-2-sulfonamide
CID 106331722
N-(4-hydroxypentyl)-5-(methylaminomethyl)furan-2-sulfonamide
CID 106137737
5-(ethylaminomethyl)-N-[(2-methylcyclopentyl)methyl]furan-2-sulfonamide
CID 107421037

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-(4-hydroxybutyl)furan-2-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-N-(4-hydroxybutyl)furan-2-sulfonamide (CID 106846834) is 5-(ethylaminomethyl)-N-(4-hydroxybutyl)furan-2-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-N-(4-hydroxybutyl)furan-2-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-N-(4-hydroxybutyl)furan-2-sulfonamide is CCNCc1ccc(S(=O)(=O)NCCCCO)o1.
What is the InChIKey of 5-(ethylaminomethyl)-N-(4-hydroxybutyl)furan-2-sulfonamide?
The InChIKey is UXVRLHNCJDNJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S/c1-2-12-9-10-5-6-11(17-10)18(15,16)13-7-3-4-8-14/h5-6,12-14H,2-4,7-9H2,1H3.
What are the key properties of 5-(ethylaminomethyl)-N-(4-hydroxybutyl)furan-2-sulfonamide?
5-(ethylaminomethyl)-N-(4-hydroxybutyl)furan-2-sulfonamide has a molecular weight of 276.36 g/mol, XLogP of 0.44, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-(4-hydroxybutyl)furan-2-sulfonamide is sourced from PubChem (CID 106846834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).