5-(hydroxymethyl)-N-(1-methoxybutan-2-yl)-2-methylfuran-3-sulfonamide

C11H19NO5S — CID 114135110

IUPAC5-(hydroxymethyl)-N-(1-methoxybutan-2-yl)-2-methylfuran-3-sulfonamide
SMILESCCC(COC)NS(=O)(=O)c1cc(CO)oc1C
InChIInChI=1S/C11H19NO5S/c1-4-9(7-16-3)12-18(14,15)11-5-10(6-13)17-8(11)2/h5,9,12-13H,4,6-7H2,1-3H3
InChIKeyPFEPPBGWBLDFGT-UHFFFAOYSA-N
MW277.34 g/mol
LogP0.78
Rot. Bonds7

About 5-(hydroxymethyl)-N-(1-methoxybutan-2-yl)-2-methylfuran-3-sulfonamide

5-(hydroxymethyl)-N-(1-methoxybutan-2-yl)-2-methylfuran-3-sulfonamide (PubChem CID 114135110) has the molecular formula C11H19NO5S and a molecular weight of 277.34 g/mol. Its IUPAC name is 5-(hydroxymethyl)-N-(1-methoxybutan-2-yl)-2-methylfuran-3-sulfonamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-N-(1-methoxybutan-2-yl)-2-methylfuran-3-sulfonamide
PubChem CID114135110
Molecular FormulaC11H19NO5S
Molecular Weight277.34 g/mol
Exact Mass277.10
IUPAC Name5-(hydroxymethyl)-N-(1-methoxybutan-2-yl)-2-methylfuran-3-sulfonamide
SMILESCCC(COC)NS(=O)(=O)c1cc(CO)oc1C
InChIInChI=1S/C11H19NO5S/c1-4-9(7-16-3)12-18(14,15)11-5-10(6-13)17-8(11)2/h5,9,12-13H,4,6-7H2,1-3H3
InChIKeyPFEPPBGWBLDFGT-UHFFFAOYSA-N
XLogP0.78
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-hexan-3-yl-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide
CID 114134681
5-(aminomethyl)-2-bromo-N-(1-methoxybutan-2-yl)furan-3-sulfonamide
CID 106068270
5-(aminomethyl)-N-hexan-3-yl-2-methylfuran-3-sulfonamide
CID 106055327
5-(hydroxymethyl)-N-(2-methoxypropyl)-2-methylfuran-3-sulfonamide
CID 102701313
N-(3-ethoxypropyl)-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide
CID 114133466
5-(aminomethyl)-2-methyl-N-(1-methylsulfanylbutan-2-yl)furan-3-sulfonamide
CID 106083828
N-[2-(2,2-difluoroethoxy)ethyl]-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide
CID 106001563
5-methyl-4-(pentan-3-ylsulfamoyl)furan-2-carboxylic acid
CID 62803052
5-(hydroxymethyl)-2-methyl-N-(4-propan-2-yloxybutyl)furan-3-sulfonamide
CID 106014493
5-(hydroxymethyl)-2-methyl-N-(2,3,3-trimethylbutyl)furan-3-sulfonamide
CID 83147038
N-(1-methoxybutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 5005523
3,4-difluoro-5-(1-methoxybutan-2-ylsulfamoyl)benzoic acid
CID 104654423

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-N-(1-methoxybutan-2-yl)-2-methylfuran-3-sulfonamide?
The IUPAC name of 5-(hydroxymethyl)-N-(1-methoxybutan-2-yl)-2-methylfuran-3-sulfonamide (CID 114135110) is 5-(hydroxymethyl)-N-(1-methoxybutan-2-yl)-2-methylfuran-3-sulfonamide.
What is the SMILES notation for 5-(hydroxymethyl)-N-(1-methoxybutan-2-yl)-2-methylfuran-3-sulfonamide?
The canonical SMILES for 5-(hydroxymethyl)-N-(1-methoxybutan-2-yl)-2-methylfuran-3-sulfonamide is CCC(COC)NS(=O)(=O)c1cc(CO)oc1C.
What is the InChIKey of 5-(hydroxymethyl)-N-(1-methoxybutan-2-yl)-2-methylfuran-3-sulfonamide?
The InChIKey is PFEPPBGWBLDFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5S/c1-4-9(7-16-3)12-18(14,15)11-5-10(6-13)17-8(11)2/h5,9,12-13H,4,6-7H2,1-3H3.
What are the key properties of 5-(hydroxymethyl)-N-(1-methoxybutan-2-yl)-2-methylfuran-3-sulfonamide?
5-(hydroxymethyl)-N-(1-methoxybutan-2-yl)-2-methylfuran-3-sulfonamide has a molecular weight of 277.34 g/mol, XLogP of 0.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-N-(1-methoxybutan-2-yl)-2-methylfuran-3-sulfonamide is sourced from PubChem (CID 114135110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).