5-[[(3-hydroxy-4-methoxybutyl)amino]methyl]furan-2-sulfonamide

C10H18N2O5S — CID 106245527

IUPAC5-[[(3-hydroxy-4-methoxybutyl)amino]methyl]furan-2-sulfonamide
SMILESCOCC(O)CCNCc1ccc(S(N)(=O)=O)o1
InChIInChI=1S/C10H18N2O5S/c1-16-7-8(13)4-5-12-6-9-2-3-10(17-9)18(11,14)15/h2-3,8,12-13H,4-7H2,1H3,(H2,11,14,15)
InChIKeySWYVZUXXQSTHOJ-UHFFFAOYSA-N
MW278.33 g/mol
LogP-0.59
Rot. Bonds8

About 5-[[(3-hydroxy-4-methoxybutyl)amino]methyl]furan-2-sulfonamide

5-[[(3-hydroxy-4-methoxybutyl)amino]methyl]furan-2-sulfonamide (PubChem CID 106245527) has the molecular formula C10H18N2O5S and a molecular weight of 278.33 g/mol. Its IUPAC name is 5-[[(3-hydroxy-4-methoxybutyl)amino]methyl]furan-2-sulfonamide.

Molecular Properties

Compound Name5-[[(3-hydroxy-4-methoxybutyl)amino]methyl]furan-2-sulfonamide
PubChem CID106245527
Molecular FormulaC10H18N2O5S
Molecular Weight278.33 g/mol
Exact Mass278.09
IUPAC Name5-[[(3-hydroxy-4-methoxybutyl)amino]methyl]furan-2-sulfonamide
SMILESCOCC(O)CCNCc1ccc(S(N)(=O)=O)o1
InChIInChI=1S/C10H18N2O5S/c1-16-7-8(13)4-5-12-6-9-2-3-10(17-9)18(11,14)15/h2-3,8,12-13H,4-7H2,1H3,(H2,11,14,15)
InChIKeySWYVZUXXQSTHOJ-UHFFFAOYSA-N
XLogP-0.59
TPSA114.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[[(5-hydroxy-4-methylpentyl)amino]methyl]furan-2-sulfonamide
CID 106158296
2-[(5-sulfamoylfuran-2-yl)methylamino]ethyl carbamate
CID 83210287
5-[(4-hydroxybutylamino)methyl]furan-2-sulfonamide
CID 106841053
5-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]furan-2-sulfonamide
CID 102904622
methyl 5-[[(3-hydroxy-4-methoxybutyl)amino]methyl]-2-methylfuran-3-carboxylate
CID 103923948
5-(ethylaminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)furan-2-sulfonamide
CID 106162836
5-[(2-methylsulfinylpropylamino)methyl]furan-2-sulfonamide
CID 113484035
5-[(2-methoxyethylamino)methyl]-N-(2-methoxypropyl)furan-2-sulfonamide
CID 102701246
4-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-1-methoxybutan-2-ol
CID 103527593
5-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]furan-2-sulfonamide
CID 106039792
5,5,5-trifluoro-4-[[(5-sulfamoylfuran-2-yl)methylamino]methyl]pentanoic acid
CID 154876227
5-[[(3-hydroxy-4-methoxybutyl)amino]methyl]thiophene-3-carboxamide
CID 103876396

Frequently Asked Questions

What is the IUPAC name of 5-[[(3-hydroxy-4-methoxybutyl)amino]methyl]furan-2-sulfonamide?
The IUPAC name of 5-[[(3-hydroxy-4-methoxybutyl)amino]methyl]furan-2-sulfonamide (CID 106245527) is 5-[[(3-hydroxy-4-methoxybutyl)amino]methyl]furan-2-sulfonamide.
What is the SMILES notation for 5-[[(3-hydroxy-4-methoxybutyl)amino]methyl]furan-2-sulfonamide?
The canonical SMILES for 5-[[(3-hydroxy-4-methoxybutyl)amino]methyl]furan-2-sulfonamide is COCC(O)CCNCc1ccc(S(N)(=O)=O)o1.
What is the InChIKey of 5-[[(3-hydroxy-4-methoxybutyl)amino]methyl]furan-2-sulfonamide?
The InChIKey is SWYVZUXXQSTHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5S/c1-16-7-8(13)4-5-12-6-9-2-3-10(17-9)18(11,14)15/h2-3,8,12-13H,4-7H2,1H3,(H2,11,14,15).
What are the key properties of 5-[[(3-hydroxy-4-methoxybutyl)amino]methyl]furan-2-sulfonamide?
5-[[(3-hydroxy-4-methoxybutyl)amino]methyl]furan-2-sulfonamide has a molecular weight of 278.33 g/mol, XLogP of -0.59, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-hydroxy-4-methoxybutyl)amino]methyl]furan-2-sulfonamide is sourced from PubChem (CID 106245527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).