5-[[(3-hydroxy-2-methyloxolan-3-yl)methylamino]methyl]furan-2-sulfonamide

C11H18N2O5S — CID 106100249

IUPAC5-[[(3-hydroxy-2-methyloxolan-3-yl)methylamino]methyl]furan-2-sulfonamide
SMILESCC1OCCC1(O)CNCc1ccc(S(N)(=O)=O)o1
InChIInChI=1S/C11H18N2O5S/c1-8-11(14,4-5-17-8)7-13-6-9-2-3-10(18-9)19(12,15)16/h2-3,8,13-14H,4-7H2,1H3,(H2,12,15,16)
InChIKeyFYRBJQAQXTZDLC-UHFFFAOYSA-N
MW290.34 g/mol
LogP-0.44
Rot. Bonds5

About 5-[[(3-hydroxy-2-methyloxolan-3-yl)methylamino]methyl]furan-2-sulfonamide

5-[[(3-hydroxy-2-methyloxolan-3-yl)methylamino]methyl]furan-2-sulfonamide (PubChem CID 106100249) has the molecular formula C11H18N2O5S and a molecular weight of 290.34 g/mol. Its IUPAC name is 5-[[(3-hydroxy-2-methyloxolan-3-yl)methylamino]methyl]furan-2-sulfonamide.

Molecular Properties

Compound Name5-[[(3-hydroxy-2-methyloxolan-3-yl)methylamino]methyl]furan-2-sulfonamide
PubChem CID106100249
Molecular FormulaC11H18N2O5S
Molecular Weight290.34 g/mol
Exact Mass290.09
IUPAC Name5-[[(3-hydroxy-2-methyloxolan-3-yl)methylamino]methyl]furan-2-sulfonamide
SMILESCC1OCCC1(O)CNCc1ccc(S(N)(=O)=O)o1
InChIInChI=1S/C11H18N2O5S/c1-8-11(14,4-5-17-8)7-13-6-9-2-3-10(18-9)19(12,15)16/h2-3,8,13-14H,4-7H2,1H3,(H2,12,15,16)
InChIKeyFYRBJQAQXTZDLC-UHFFFAOYSA-N
XLogP-0.44
TPSA114.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3R)-3-[(benzylamino)methyl]-2-methyloxolan-3-ol
CID 98041266
3-hydroxy-2-methyl-3-[(sulfamoylamino)methyl]oxolane
CID 107268641
4-amino-3-bromo-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzenesulfonamide
CID 106099374
3-[[(5-ethylthiophen-2-yl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268149
4-[1-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]ethyl]benzenesulfonamide
CID 107270686
2-methyl-3-[[(2-methylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol
CID 107268404
3-[[(2-chloro-1-benzofuran-3-yl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268423
5-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]furan-2-sulfonamide
CID 102904622
3-[(2-ethylsulfonylethylamino)methyl]-2-methyloxolan-3-ol
CID 106101245
2-methyl-3-[[(1-methylpyrrol-2-yl)methylamino]methyl]oxolan-3-ol
CID 107268488
4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzenesulfonamide
CID 107271459
3-[[(3-chloro-4-pyridinyl)methylamino]methyl]-2-methyloxolan-3-ol
CID 114143498

Frequently Asked Questions

What is the IUPAC name of 5-[[(3-hydroxy-2-methyloxolan-3-yl)methylamino]methyl]furan-2-sulfonamide?
The IUPAC name of 5-[[(3-hydroxy-2-methyloxolan-3-yl)methylamino]methyl]furan-2-sulfonamide (CID 106100249) is 5-[[(3-hydroxy-2-methyloxolan-3-yl)methylamino]methyl]furan-2-sulfonamide.
What is the SMILES notation for 5-[[(3-hydroxy-2-methyloxolan-3-yl)methylamino]methyl]furan-2-sulfonamide?
The canonical SMILES for 5-[[(3-hydroxy-2-methyloxolan-3-yl)methylamino]methyl]furan-2-sulfonamide is CC1OCCC1(O)CNCc1ccc(S(N)(=O)=O)o1.
What is the InChIKey of 5-[[(3-hydroxy-2-methyloxolan-3-yl)methylamino]methyl]furan-2-sulfonamide?
The InChIKey is FYRBJQAQXTZDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5S/c1-8-11(14,4-5-17-8)7-13-6-9-2-3-10(18-9)19(12,15)16/h2-3,8,13-14H,4-7H2,1H3,(H2,12,15,16).
What are the key properties of 5-[[(3-hydroxy-2-methyloxolan-3-yl)methylamino]methyl]furan-2-sulfonamide?
5-[[(3-hydroxy-2-methyloxolan-3-yl)methylamino]methyl]furan-2-sulfonamide has a molecular weight of 290.34 g/mol, XLogP of -0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-hydroxy-2-methyloxolan-3-yl)methylamino]methyl]furan-2-sulfonamide is sourced from PubChem (CID 106100249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).