N-(3-ethoxypropyl)-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide

C11H19NO5S — CID 114133466

IUPACN-(3-ethoxypropyl)-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide
SMILESCCOCCCNS(=O)(=O)c1cc(CO)oc1C
InChIInChI=1S/C11H19NO5S/c1-3-16-6-4-5-12-18(14,15)11-7-10(8-13)17-9(11)2/h7,12-13H,3-6,8H2,1-2H3
InChIKeyDWTQRQYWRLNBTO-UHFFFAOYSA-N
MW277.34 g/mol
LogP0.79
Rot. Bonds8

About N-(3-ethoxypropyl)-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide

N-(3-ethoxypropyl)-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide (PubChem CID 114133466) has the molecular formula C11H19NO5S and a molecular weight of 277.34 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide
PubChem CID114133466
Molecular FormulaC11H19NO5S
Molecular Weight277.34 g/mol
Exact Mass277.10
IUPAC NameN-(3-ethoxypropyl)-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide
SMILESCCOCCCNS(=O)(=O)c1cc(CO)oc1C
InChIInChI=1S/C11H19NO5S/c1-3-16-6-4-5-12-18(14,15)11-7-10(8-13)17-9(11)2/h7,12-13H,3-6,8H2,1-2H3
InChIKeyDWTQRQYWRLNBTO-UHFFFAOYSA-N
XLogP0.79
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-ethoxypropylsulfamoyl)-5-methylfuran-2-carboxylic acid
CID 62803424
5-(hydroxymethyl)-2-methyl-N-(4-propan-2-yloxybutyl)furan-3-sulfonamide
CID 106014493
N-[2-(2,2-difluoroethoxy)ethyl]-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide
CID 106001563
N-(3-butoxypropyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide
CID 106080376
5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-2-methylfuran-3-sulfonamide
CID 106019622
5-(hydroxymethyl)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide
CID 106433689
5-(hydroxymethyl)-N-(2-methoxypropyl)-2-methylfuran-3-sulfonamide
CID 102701313
5-bromo-4-(3-ethoxypropylsulfamoyl)furan-2-carboxylic acid
CID 55119589
2-ethoxy-N-(3-ethoxypropyl)-4,5-dimethylbenzenesulfonamide
CID 66486044
5-(hydroxymethyl)-2-methyl-N-(2,3,3-trimethylbutyl)furan-3-sulfonamide
CID 83147038
5-amino-N-(3-ethoxypropyl)-2,3-dimethylbenzenesulfonamide
CID 28519081
5-(hydroxymethyl)-N-(1-methoxybutan-2-yl)-2-methylfuran-3-sulfonamide
CID 114135110

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide?
The IUPAC name of N-(3-ethoxypropyl)-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide (CID 114133466) is N-(3-ethoxypropyl)-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide.
What is the SMILES notation for N-(3-ethoxypropyl)-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide?
The canonical SMILES for N-(3-ethoxypropyl)-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide is CCOCCCNS(=O)(=O)c1cc(CO)oc1C.
What is the InChIKey of N-(3-ethoxypropyl)-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide?
The InChIKey is DWTQRQYWRLNBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5S/c1-3-16-6-4-5-12-18(14,15)11-7-10(8-13)17-9(11)2/h7,12-13H,3-6,8H2,1-2H3.
What are the key properties of N-(3-ethoxypropyl)-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide?
N-(3-ethoxypropyl)-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide has a molecular weight of 277.34 g/mol, XLogP of 0.79, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide is sourced from PubChem (CID 114133466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).