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

C11H20N2O4S — CID 106158296

IUPAC5-[[(5-hydroxy-4-methylpentyl)amino]methyl]furan-2-sulfonamide
SMILESCC(CO)CCCNCc1ccc(S(N)(=O)=O)o1
InChIInChI=1S/C11H20N2O4S/c1-9(8-14)3-2-6-13-7-10-4-5-11(17-10)18(12,15)16/h4-5,9,13-14H,2-3,6-8H2,1H3,(H2,12,15,16)
InChIKeyKVIOFKYDJDPGNC-UHFFFAOYSA-N
MW276.36 g/mol
LogP0.43
Rot. Bonds8

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

5-[[(5-hydroxy-4-methylpentyl)amino]methyl]furan-2-sulfonamide (PubChem CID 106158296) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is 5-[[(5-hydroxy-4-methylpentyl)amino]methyl]furan-2-sulfonamide.

Molecular Properties

Compound Name5-[[(5-hydroxy-4-methylpentyl)amino]methyl]furan-2-sulfonamide
PubChem CID106158296
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC Name5-[[(5-hydroxy-4-methylpentyl)amino]methyl]furan-2-sulfonamide
SMILESCC(CO)CCCNCc1ccc(S(N)(=O)=O)o1
InChIInChI=1S/C11H20N2O4S/c1-9(8-14)3-2-6-13-7-10-4-5-11(17-10)18(12,15)16/h4-5,9,13-14H,2-3,6-8H2,1H3,(H2,12,15,16)
InChIKeyKVIOFKYDJDPGNC-UHFFFAOYSA-N
XLogP0.43
TPSA105.56 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 ≤ 50.43
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-[(4-hydroxybutylamino)methyl]furan-2-sulfonamide
CID 106841053
5-[(5-iodofuran-2-yl)methylamino]-2-methylpentan-1-ol
CID 106157788
5-[[(3-hydroxy-4-methoxybutyl)amino]methyl]furan-2-sulfonamide
CID 106245527
2-methyl-5-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]pentan-1-ol
CID 103859574
5-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]furan-2-sulfonamide
CID 102904622
5-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-2-methylpentan-1-ol
CID 103859480
2-[(5-sulfamoylfuran-2-yl)methylamino]ethyl carbamate
CID 83210287
5-(furan-2-ylmethylamino)-2-methylpentan-1-ol
CID 103859513
5-[(2-methylsulfinylpropylamino)methyl]furan-2-sulfonamide
CID 113484035
N,N-dimethyl-5-[[3-[methyl(propan-2-yl)amino]propylamino]methyl]furan-2-sulfonamide
CID 106040255
5-[[5-(hydroxymethyl)furan-2-yl]methylamino]pentan-2-ol
CID 107267638
5-[(5-chlorofuran-2-yl)methylamino]pentan-2-ol
CID 107267883

Frequently Asked Questions

What is the IUPAC name of 5-[[(5-hydroxy-4-methylpentyl)amino]methyl]furan-2-sulfonamide?
The IUPAC name of 5-[[(5-hydroxy-4-methylpentyl)amino]methyl]furan-2-sulfonamide (CID 106158296) is 5-[[(5-hydroxy-4-methylpentyl)amino]methyl]furan-2-sulfonamide.
What is the SMILES notation for 5-[[(5-hydroxy-4-methylpentyl)amino]methyl]furan-2-sulfonamide?
The canonical SMILES for 5-[[(5-hydroxy-4-methylpentyl)amino]methyl]furan-2-sulfonamide is CC(CO)CCCNCc1ccc(S(N)(=O)=O)o1.
What is the InChIKey of 5-[[(5-hydroxy-4-methylpentyl)amino]methyl]furan-2-sulfonamide?
The InChIKey is KVIOFKYDJDPGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S/c1-9(8-14)3-2-6-13-7-10-4-5-11(17-10)18(12,15)16/h4-5,9,13-14H,2-3,6-8H2,1H3,(H2,12,15,16).
What are the key properties of 5-[[(5-hydroxy-4-methylpentyl)amino]methyl]furan-2-sulfonamide?
5-[[(5-hydroxy-4-methylpentyl)amino]methyl]furan-2-sulfonamide has a molecular weight of 276.36 g/mol, XLogP of 0.43, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5-hydroxy-4-methylpentyl)amino]methyl]furan-2-sulfonamide is sourced from PubChem (CID 106158296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).