2-[[5-(hydroxymethyl)furan-2-yl]methylamino]ethanesulfonamide

C8H14N2O4S — CID 64580129

IUPAC2-[[5-(hydroxymethyl)furan-2-yl]methylamino]ethanesulfonamide
SMILESNS(=O)(=O)CCNCc1ccc(CO)o1
InChIInChI=1S/C8H14N2O4S/c9-15(12,13)4-3-10-5-7-1-2-8(6-11)14-7/h1-2,10-11H,3-6H2,(H2,9,12,13)
InChIKeyNAWDGSIGLWKWOA-UHFFFAOYSA-N
MW234.28 g/mol
LogP-0.85
Rot. Bonds6

About 2-[[5-(hydroxymethyl)furan-2-yl]methylamino]ethanesulfonamide

2-[[5-(hydroxymethyl)furan-2-yl]methylamino]ethanesulfonamide (PubChem CID 64580129) has the molecular formula C8H14N2O4S and a molecular weight of 234.28 g/mol. Its IUPAC name is 2-[[5-(hydroxymethyl)furan-2-yl]methylamino]ethanesulfonamide.

Molecular Properties

Compound Name2-[[5-(hydroxymethyl)furan-2-yl]methylamino]ethanesulfonamide
PubChem CID64580129
Molecular FormulaC8H14N2O4S
Molecular Weight234.28 g/mol
Exact Mass234.07
IUPAC Name2-[[5-(hydroxymethyl)furan-2-yl]methylamino]ethanesulfonamide
SMILESNS(=O)(=O)CCNCc1ccc(CO)o1
InChIInChI=1S/C8H14N2O4S/c9-15(12,13)4-3-10-5-7-1-2-8(6-11)14-7/h1-2,10-11H,3-6H2,(H2,9,12,13)
InChIKeyNAWDGSIGLWKWOA-UHFFFAOYSA-N
XLogP-0.85
TPSA105.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 5-0.85
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

2-[[5-(hydroxymethyl)furan-2-yl]methylamino]-N,N-dimethylethanesulfonamide
CID 114175071
[5-[[2-(2,6-dimethylmorpholin-4-yl)sulfonylethylamino]methyl]furan-2-yl]methanol
CID 56807009
[5-[(2-methylsulfinylethylamino)methyl]furan-2-yl]methanol
CID 115654111
N-[(5-ethylfuran-2-yl)methyl]-2-ethylsulfonylethanamine
CID 115697427
3-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]benzenesulfonamide
CID 64592159
2-[(5-sulfamoylfuran-2-yl)methylamino]ethyl carbamate
CID 83210287
5-[(4-hydroxybutylamino)methyl]furan-2-sulfonamide
CID 106841053
N-tert-butyl-3-[[5-(hydroxymethyl)furan-2-yl]methylamino]propanamide
CID 112695091
[5-[(3-methoxypropylamino)methyl]furan-2-yl]methanol
CID 64577829
methyl 5-[(2-sulfamoylethylamino)methyl]furan-3-carboxylate
CID 104608224
[5-[[2-(2-methoxyethoxy)ethylamino]methyl]furan-2-yl]methanol
CID 64593159
1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4-methylpentan-3-ol
CID 111468109

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(hydroxymethyl)furan-2-yl]methylamino]ethanesulfonamide?
The IUPAC name of 2-[[5-(hydroxymethyl)furan-2-yl]methylamino]ethanesulfonamide (CID 64580129) is 2-[[5-(hydroxymethyl)furan-2-yl]methylamino]ethanesulfonamide.
What is the SMILES notation for 2-[[5-(hydroxymethyl)furan-2-yl]methylamino]ethanesulfonamide?
The canonical SMILES for 2-[[5-(hydroxymethyl)furan-2-yl]methylamino]ethanesulfonamide is NS(=O)(=O)CCNCc1ccc(CO)o1.
What is the InChIKey of 2-[[5-(hydroxymethyl)furan-2-yl]methylamino]ethanesulfonamide?
The InChIKey is NAWDGSIGLWKWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4S/c9-15(12,13)4-3-10-5-7-1-2-8(6-11)14-7/h1-2,10-11H,3-6H2,(H2,9,12,13).
What are the key properties of 2-[[5-(hydroxymethyl)furan-2-yl]methylamino]ethanesulfonamide?
2-[[5-(hydroxymethyl)furan-2-yl]methylamino]ethanesulfonamide has a molecular weight of 234.28 g/mol, XLogP of -0.85, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(hydroxymethyl)furan-2-yl]methylamino]ethanesulfonamide is sourced from PubChem (CID 64580129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).