5-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]methyl]-N-methylfuran-2-sulfonamide

C10H18N2O6S — CID 107850325

IUPAC5-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]methyl]-N-methylfuran-2-sulfonamide
SMILESCNS(=O)(=O)c1ccc(CNC(CO)(CO)CO)o1
InChIInChI=1S/C10H18N2O6S/c1-11-19(16,17)9-3-2-8(18-9)4-12-10(5-13,6-14)7-15/h2-3,11-15H,4-7H2,1H3
InChIKeyPPXOZMDLMRJRIO-UHFFFAOYSA-N
MW294.33 g/mol
LogP-2.01
Rot. Bonds8

About 5-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]methyl]-N-methylfuran-2-sulfonamide

5-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]methyl]-N-methylfuran-2-sulfonamide (PubChem CID 107850325) has the molecular formula C10H18N2O6S and a molecular weight of 294.33 g/mol. Its IUPAC name is 5-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]methyl]-N-methylfuran-2-sulfonamide.

Molecular Properties

Compound Name5-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]methyl]-N-methylfuran-2-sulfonamide
PubChem CID107850325
Molecular FormulaC10H18N2O6S
Molecular Weight294.33 g/mol
Exact Mass294.09
IUPAC Name5-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]methyl]-N-methylfuran-2-sulfonamide
SMILESCNS(=O)(=O)c1ccc(CNC(CO)(CO)CO)o1
InChIInChI=1S/C10H18N2O6S/c1-11-19(16,17)9-3-2-8(18-9)4-12-10(5-13,6-14)7-15/h2-3,11-15H,4-7H2,1H3
InChIKeyPPXOZMDLMRJRIO-UHFFFAOYSA-N
XLogP-2.01
TPSA132.03 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 5-2.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

5-[[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]methyl]furan-2-sulfonamide
CID 107865049
5-(chloromethyl)-N-methylfuran-2-sulfonamide
CID 6422154
5-[[(4-hydroxyphenyl)methylamino]methyl]-N-methylfuran-2-sulfonamide
CID 114331390
5-[(2,2-difluoroethylamino)methyl]-N-methylfuran-2-sulfonamide
CID 115405595
5-[[(4-hydroxycyclohexyl)methylamino]methyl]-N-methylfuran-2-sulfonamide
CID 106124948
N-methyl-5-[[(2-methylthiolan-2-yl)methylamino]methyl]furan-2-sulfonamide
CID 80725729
2-[(5-chlorofuran-2-yl)methylamino]-2-ethylbutan-1-ol
CID 62517681
N-methyl-5-[(pent-4-ynylamino)methyl]furan-2-sulfonamide
CID 106220264
N-methyl-5-[[[(1S)-1-phenylethyl]amino]methyl]furan-2-sulfonamide
CID 81351573
5-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-N-methylfuran-2-sulfonamide
CID 81349730
5-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-N,N-dimethylfuran-2-sulfonamide
CID 63905160
5-[(3-fluoro-5-methylanilino)methyl]-N-methylfuran-2-sulfonamide
CID 79055174

Frequently Asked Questions

What is the IUPAC name of 5-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]methyl]-N-methylfuran-2-sulfonamide?
The IUPAC name of 5-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]methyl]-N-methylfuran-2-sulfonamide (CID 107850325) is 5-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]methyl]-N-methylfuran-2-sulfonamide.
What is the SMILES notation for 5-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]methyl]-N-methylfuran-2-sulfonamide?
The canonical SMILES for 5-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]methyl]-N-methylfuran-2-sulfonamide is CNS(=O)(=O)c1ccc(CNC(CO)(CO)CO)o1.
What is the InChIKey of 5-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]methyl]-N-methylfuran-2-sulfonamide?
The InChIKey is PPXOZMDLMRJRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O6S/c1-11-19(16,17)9-3-2-8(18-9)4-12-10(5-13,6-14)7-15/h2-3,11-15H,4-7H2,1H3.
What are the key properties of 5-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]methyl]-N-methylfuran-2-sulfonamide?
5-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]methyl]-N-methylfuran-2-sulfonamide has a molecular weight of 294.33 g/mol, XLogP of -2.01, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]methyl]-N-methylfuran-2-sulfonamide is sourced from PubChem (CID 107850325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).