5-[[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]methyl]furan-2-sulfonamide

C10H18N2O5S — CID 107865049

IUPAC5-[[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]methyl]furan-2-sulfonamide
SMILESCCC(CO)(CO)NCc1ccc(S(N)(=O)=O)o1
InChIInChI=1S/C10H18N2O5S/c1-2-10(6-13,7-14)12-5-8-3-4-9(17-8)18(11,15)16/h3-4,12-14H,2,5-7H2,1H3,(H2,11,15,16)
InChIKeyUHPMNFOZCJGXPK-UHFFFAOYSA-N
MW278.33 g/mol
LogP-0.85
Rot. Bonds7

About 5-[[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]methyl]furan-2-sulfonamide

5-[[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]methyl]furan-2-sulfonamide (PubChem CID 107865049) has the molecular formula C10H18N2O5S and a molecular weight of 278.33 g/mol. Its IUPAC name is 5-[[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]methyl]furan-2-sulfonamide.

Molecular Properties

Compound Name5-[[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]methyl]furan-2-sulfonamide
PubChem CID107865049
Molecular FormulaC10H18N2O5S
Molecular Weight278.33 g/mol
Exact Mass278.09
IUPAC Name5-[[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]methyl]furan-2-sulfonamide
SMILESCCC(CO)(CO)NCc1ccc(S(N)(=O)=O)o1
InChIInChI=1S/C10H18N2O5S/c1-2-10(6-13,7-14)12-5-8-3-4-9(17-8)18(11,15)16/h3-4,12-14H,2,5-7H2,1H3,(H2,11,15,16)
InChIKeyUHPMNFOZCJGXPK-UHFFFAOYSA-N
XLogP-0.85
TPSA125.79 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 5-0.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]methyl]-N-methylfuran-2-sulfonamide
CID 107850325
2-ethyl-2-[(5-iodofuran-2-yl)methylamino]propane-1,3-diol
CID 107864899
2-[(5-chlorofuran-2-yl)methylamino]-2-ethylbutan-1-ol
CID 62517681
2-ethyl-2-[(5-nitrofuran-2-yl)methylamino]propane-1,3-diol
CID 103880632
2-ethyl-2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propane-1,3-diol
CID 113344550
N-[3-(aminomethyl)pentan-3-yl]-5-sulfamoylfuran-2-carboxamide
CID 119569299
5-[(4-hydroxybutylamino)methyl]furan-2-sulfonamide
CID 106841053
5-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]furan-2-sulfonamide
CID 102904622
5-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-N,N-dimethylfuran-2-sulfonamide
CID 63905160
5-[[[(1R)-1-cyclohexylethyl]amino]methyl]furan-2-sulfonamide
CID 81384910
5-[[(5-hydroxy-4-methylpentyl)amino]methyl]furan-2-sulfonamide
CID 106158296
5-[(hex-1-yn-3-ylamino)methyl]furan-2-sulfonamide
CID 114160925

Frequently Asked Questions

What is the IUPAC name of 5-[[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]methyl]furan-2-sulfonamide?
The IUPAC name of 5-[[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]methyl]furan-2-sulfonamide (CID 107865049) is 5-[[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]methyl]furan-2-sulfonamide.
What is the SMILES notation for 5-[[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]methyl]furan-2-sulfonamide?
The canonical SMILES for 5-[[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]methyl]furan-2-sulfonamide is CCC(CO)(CO)NCc1ccc(S(N)(=O)=O)o1.
What is the InChIKey of 5-[[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]methyl]furan-2-sulfonamide?
The InChIKey is UHPMNFOZCJGXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5S/c1-2-10(6-13,7-14)12-5-8-3-4-9(17-8)18(11,15)16/h3-4,12-14H,2,5-7H2,1H3,(H2,11,15,16).
What are the key properties of 5-[[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]methyl]furan-2-sulfonamide?
5-[[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]methyl]furan-2-sulfonamide has a molecular weight of 278.33 g/mol, XLogP of -0.85, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]methyl]furan-2-sulfonamide is sourced from PubChem (CID 107865049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).