N-(4-hydroxypentyl)-5-(methylaminomethyl)furan-2-sulfonamide

C11H20N2O4S — CID 106137737

IUPACN-(4-hydroxypentyl)-5-(methylaminomethyl)furan-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)NCCCC(C)O)o1
InChIInChI=1S/C11H20N2O4S/c1-9(14)4-3-7-13-18(15,16)11-6-5-10(17-11)8-12-2/h5-6,9,12-14H,3-4,7-8H2,1-2H3
InChIKeyDUORYTJUAUTBFH-UHFFFAOYSA-N
MW276.36 g/mol
LogP0.44
Rot. Bonds8

About N-(4-hydroxypentyl)-5-(methylaminomethyl)furan-2-sulfonamide

N-(4-hydroxypentyl)-5-(methylaminomethyl)furan-2-sulfonamide (PubChem CID 106137737) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-(4-hydroxypentyl)-5-(methylaminomethyl)furan-2-sulfonamide.

Molecular Properties

Compound NameN-(4-hydroxypentyl)-5-(methylaminomethyl)furan-2-sulfonamide
PubChem CID106137737
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC NameN-(4-hydroxypentyl)-5-(methylaminomethyl)furan-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)NCCCC(C)O)o1
InChIInChI=1S/C11H20N2O4S/c1-9(14)4-3-7-13-18(15,16)11-6-5-10(17-11)8-12-2/h5-6,9,12-14H,3-4,7-8H2,1-2H3
InChIKeyDUORYTJUAUTBFH-UHFFFAOYSA-N
XLogP0.44
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
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-(methylaminomethyl)-N-[2-(methylsulfamoyl)ethyl]furan-2-sulfonamide
CID 106342936
5-(ethylaminomethyl)-N-(4-hydroxybutyl)furan-2-sulfonamide
CID 106846834
5-(methylaminomethyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]furan-2-sulfonamide
CID 106068159
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-[(propan-2-ylamino)methyl]-N-(3-propoxypropyl)furan-2-sulfonamide
CID 82940349
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-(methylaminomethyl)furan-2-sulfonamide
CID 115366259
5-[[5-(hydroxymethyl)furan-2-yl]methylamino]pentan-2-ol
CID 107267638
2,3-dichloro-N-(4-hydroxypentyl)benzenesulfonamide
CID 107271143
5-(methylaminomethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]furan-2-sulfonamide
CID 80686304
5-[(5-chlorofuran-2-yl)methylamino]pentan-2-ol
CID 107267883
2,6-difluoro-N-(4-hydroxypentyl)benzenesulfonamide
CID 107271298

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxypentyl)-5-(methylaminomethyl)furan-2-sulfonamide?
The IUPAC name of N-(4-hydroxypentyl)-5-(methylaminomethyl)furan-2-sulfonamide (CID 106137737) is N-(4-hydroxypentyl)-5-(methylaminomethyl)furan-2-sulfonamide.
What is the SMILES notation for N-(4-hydroxypentyl)-5-(methylaminomethyl)furan-2-sulfonamide?
The canonical SMILES for N-(4-hydroxypentyl)-5-(methylaminomethyl)furan-2-sulfonamide is CNCc1ccc(S(=O)(=O)NCCCC(C)O)o1.
What is the InChIKey of N-(4-hydroxypentyl)-5-(methylaminomethyl)furan-2-sulfonamide?
The InChIKey is DUORYTJUAUTBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S/c1-9(14)4-3-7-13-18(15,16)11-6-5-10(17-11)8-12-2/h5-6,9,12-14H,3-4,7-8H2,1-2H3.
What are the key properties of N-(4-hydroxypentyl)-5-(methylaminomethyl)furan-2-sulfonamide?
N-(4-hydroxypentyl)-5-(methylaminomethyl)furan-2-sulfonamide has a molecular weight of 276.36 g/mol, XLogP of 0.44, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxypentyl)-5-(methylaminomethyl)furan-2-sulfonamide is sourced from PubChem (CID 106137737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).