2-[[5-(hydroxymethyl)furan-2-yl]methylamino]-N,N-dimethylethanesulfonamide

C10H18N2O4S — CID 114175071

IUPAC2-[[5-(hydroxymethyl)furan-2-yl]methylamino]-N,N-dimethylethanesulfonamide
SMILESCN(C)S(=O)(=O)CCNCc1ccc(CO)o1
InChIInChI=1S/C10H18N2O4S/c1-12(2)17(14,15)6-5-11-7-9-3-4-10(8-13)16-9/h3-4,11,13H,5-8H2,1-2H3
InChIKeyNFRMJAKPTWZFKO-UHFFFAOYSA-N
MW262.33 g/mol
LogP-0.25
Rot. Bonds7

About 2-[[5-(hydroxymethyl)furan-2-yl]methylamino]-N,N-dimethylethanesulfonamide

2-[[5-(hydroxymethyl)furan-2-yl]methylamino]-N,N-dimethylethanesulfonamide (PubChem CID 114175071) has the molecular formula C10H18N2O4S and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-[[5-(hydroxymethyl)furan-2-yl]methylamino]-N,N-dimethylethanesulfonamide.

Molecular Properties

Compound Name2-[[5-(hydroxymethyl)furan-2-yl]methylamino]-N,N-dimethylethanesulfonamide
PubChem CID114175071
Molecular FormulaC10H18N2O4S
Molecular Weight262.33 g/mol
Exact Mass262.10
IUPAC Name2-[[5-(hydroxymethyl)furan-2-yl]methylamino]-N,N-dimethylethanesulfonamide
SMILESCN(C)S(=O)(=O)CCNCc1ccc(CO)o1
InChIInChI=1S/C10H18N2O4S/c1-12(2)17(14,15)6-5-11-7-9-3-4-10(8-13)16-9/h3-4,11,13H,5-8H2,1-2H3
InChIKeyNFRMJAKPTWZFKO-UHFFFAOYSA-N
XLogP-0.25
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
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]ethanesulfonamide
CID 64580129
[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
N,N-dimethyl-2-[(4-methylphenyl)methylamino]ethanesulfonamide
CID 106335849
2-[(5-tert-butylthiophen-2-yl)methylamino]-N,N-dimethylethanesulfonamide
CID 106335429
5-[[5-(dimethylsulfamoyl)furan-2-yl]methylamino]pentanamide
CID 106233401
[5-[(3-methoxypropylamino)methyl]furan-2-yl]methanol
CID 64577829
N-[2-[[2-(dimethylsulfamoyl)ethylamino]methyl]phenyl]acetamide
CID 106335613
N-tert-butyl-3-[[5-(hydroxymethyl)furan-2-yl]methylamino]propanamide
CID 112695091
[5-[[2-(2-methoxyethoxy)ethylamino]methyl]furan-2-yl]methanol
CID 64593159
5-[[5-(hydroxymethyl)furan-2-yl]methylamino]pentan-2-ol
CID 107267638

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(hydroxymethyl)furan-2-yl]methylamino]-N,N-dimethylethanesulfonamide?
The IUPAC name of 2-[[5-(hydroxymethyl)furan-2-yl]methylamino]-N,N-dimethylethanesulfonamide (CID 114175071) is 2-[[5-(hydroxymethyl)furan-2-yl]methylamino]-N,N-dimethylethanesulfonamide.
What is the SMILES notation for 2-[[5-(hydroxymethyl)furan-2-yl]methylamino]-N,N-dimethylethanesulfonamide?
The canonical SMILES for 2-[[5-(hydroxymethyl)furan-2-yl]methylamino]-N,N-dimethylethanesulfonamide is CN(C)S(=O)(=O)CCNCc1ccc(CO)o1.
What is the InChIKey of 2-[[5-(hydroxymethyl)furan-2-yl]methylamino]-N,N-dimethylethanesulfonamide?
The InChIKey is NFRMJAKPTWZFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4S/c1-12(2)17(14,15)6-5-11-7-9-3-4-10(8-13)16-9/h3-4,11,13H,5-8H2,1-2H3.
What are the key properties of 2-[[5-(hydroxymethyl)furan-2-yl]methylamino]-N,N-dimethylethanesulfonamide?
2-[[5-(hydroxymethyl)furan-2-yl]methylamino]-N,N-dimethylethanesulfonamide has a molecular weight of 262.33 g/mol, XLogP of -0.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(hydroxymethyl)furan-2-yl]methylamino]-N,N-dimethylethanesulfonamide is sourced from PubChem (CID 114175071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).