5-[(4-hydroxybutylamino)methyl]furan-2-sulfonamide

C9H16N2O4S — CID 106841053

IUPAC5-[(4-hydroxybutylamino)methyl]furan-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(CNCCCCO)o1
InChIInChI=1S/C9H16N2O4S/c10-16(13,14)9-4-3-8(15-9)7-11-5-1-2-6-12/h3-4,11-12H,1-2,5-7H2,(H2,10,13,14)
InChIKeyMROGGJLIBJTXCE-UHFFFAOYSA-N
MW248.30 g/mol
LogP-0.21
Rot. Bonds7

About 5-[(4-hydroxybutylamino)methyl]furan-2-sulfonamide

5-[(4-hydroxybutylamino)methyl]furan-2-sulfonamide (PubChem CID 106841053) has the molecular formula C9H16N2O4S and a molecular weight of 248.30 g/mol. Its IUPAC name is 5-[(4-hydroxybutylamino)methyl]furan-2-sulfonamide.

Molecular Properties

Compound Name5-[(4-hydroxybutylamino)methyl]furan-2-sulfonamide
PubChem CID106841053
Molecular FormulaC9H16N2O4S
Molecular Weight248.30 g/mol
Exact Mass248.08
IUPAC Name5-[(4-hydroxybutylamino)methyl]furan-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(CNCCCCO)o1
InChIInChI=1S/C9H16N2O4S/c10-16(13,14)9-4-3-8(15-9)7-11-5-1-2-6-12/h3-4,11-12H,1-2,5-7H2,(H2,10,13,14)
InChIKeyMROGGJLIBJTXCE-UHFFFAOYSA-N
XLogP-0.21
TPSA105.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 5-0.21
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-[[(5-hydroxy-4-methylpentyl)amino]methyl]furan-2-sulfonamide
CID 106158296
2-[(5-sulfamoylfuran-2-yl)methylamino]ethyl carbamate
CID 83210287
5-(ethylaminomethyl)-N-(4-hydroxybutyl)furan-2-sulfonamide
CID 106846834
5-[[(3-hydroxy-4-methoxybutyl)amino]methyl]furan-2-sulfonamide
CID 106245527
5-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]furan-2-sulfonamide
CID 102904622
5-[[5-(dimethylsulfamoyl)furan-2-yl]methylamino]pentanamide
CID 106233401
N,N-dimethyl-5-[[3-[methyl(propan-2-yl)amino]propylamino]methyl]furan-2-sulfonamide
CID 106040255
3-[(5-ethylfuran-2-yl)methylamino]propan-1-ol
CID 62346673
5-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]furan-2-sulfonamide
CID 106039792
2-[[5-(hydroxymethyl)furan-2-yl]methylamino]ethanesulfonamide
CID 64580129
5-[(2-methylsulfinylpropylamino)methyl]furan-2-sulfonamide
CID 113484035
5-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]furan-2-sulfonamide
CID 106370676

Frequently Asked Questions

What is the IUPAC name of 5-[(4-hydroxybutylamino)methyl]furan-2-sulfonamide?
The IUPAC name of 5-[(4-hydroxybutylamino)methyl]furan-2-sulfonamide (CID 106841053) is 5-[(4-hydroxybutylamino)methyl]furan-2-sulfonamide.
What is the SMILES notation for 5-[(4-hydroxybutylamino)methyl]furan-2-sulfonamide?
The canonical SMILES for 5-[(4-hydroxybutylamino)methyl]furan-2-sulfonamide is NS(=O)(=O)c1ccc(CNCCCCO)o1.
What is the InChIKey of 5-[(4-hydroxybutylamino)methyl]furan-2-sulfonamide?
The InChIKey is MROGGJLIBJTXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4S/c10-16(13,14)9-4-3-8(15-9)7-11-5-1-2-6-12/h3-4,11-12H,1-2,5-7H2,(H2,10,13,14).
What are the key properties of 5-[(4-hydroxybutylamino)methyl]furan-2-sulfonamide?
5-[(4-hydroxybutylamino)methyl]furan-2-sulfonamide has a molecular weight of 248.30 g/mol, XLogP of -0.21, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-hydroxybutylamino)methyl]furan-2-sulfonamide is sourced from PubChem (CID 106841053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).