N-(3-butoxypropyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide

C14H26N2O4S — CID 106080376

IUPACN-(3-butoxypropyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide
SMILESCCCCOCCCNS(=O)(=O)c1cc(CNC)oc1C
InChIInChI=1S/C14H26N2O4S/c1-4-5-8-19-9-6-7-16-21(17,18)14-10-13(11-15-3)20-12(14)2/h10,15-16H,4-9,11H2,1-3H3
InChIKeyATNYTGAXFYADDX-UHFFFAOYSA-N
MW318.44 g/mol
LogP1.79
Rot. Bonds11

About N-(3-butoxypropyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide

N-(3-butoxypropyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide (PubChem CID 106080376) has the molecular formula C14H26N2O4S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-(3-butoxypropyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide
PubChem CID106080376
Molecular FormulaC14H26N2O4S
Molecular Weight318.44 g/mol
Exact Mass318.16
IUPAC NameN-(3-butoxypropyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide
SMILESCCCCOCCCNS(=O)(=O)c1cc(CNC)oc1C
InChIInChI=1S/C14H26N2O4S/c1-4-5-8-19-9-6-7-16-21(17,18)14-10-13(11-15-3)20-12(14)2/h10,15-16H,4-9,11H2,1-3H3
InChIKeyATNYTGAXFYADDX-UHFFFAOYSA-N
XLogP1.79
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 51.79
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

N-(3-ethoxypropyl)-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide
CID 114133466
2-methyl-5-(methylaminomethyl)-N-(oxan-4-ylmethyl)furan-3-sulfonamide
CID 106062930
2-methyl-5-(methylaminomethyl)-N-[(3-methylcyclopentyl)methyl]furan-3-sulfonamide
CID 106089872
2-methyl-5-(methylaminomethyl)-N-(thian-4-ylmethyl)furan-3-sulfonamide
CID 106078516
5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-2-methylfuran-3-sulfonamide
CID 106019622
2-bromo-N-(2-butoxyethyl)-5-(ethylaminomethyl)furan-3-sulfonamide
CID 106017578
N-(cyclobutylmethyl)-2-methyl-5-(propylaminomethyl)furan-3-sulfonamide
CID 106025005
N-(2-butoxyethyl)-2-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106017620
N-(3-butoxypropyl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide
CID 106080380
2-amino-4,5-dimethyl-N-(3-propoxypropyl)benzenesulfonamide
CID 82949556
N-(4-methoxyphenyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide
CID 106031218
4-(3-ethoxypropylsulfamoyl)-5-methylfuran-2-carboxylic acid
CID 62803424

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide?
The IUPAC name of N-(3-butoxypropyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide (CID 106080376) is N-(3-butoxypropyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide.
What is the SMILES notation for N-(3-butoxypropyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide?
The canonical SMILES for N-(3-butoxypropyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide is CCCCOCCCNS(=O)(=O)c1cc(CNC)oc1C.
What is the InChIKey of N-(3-butoxypropyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide?
The InChIKey is ATNYTGAXFYADDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4S/c1-4-5-8-19-9-6-7-16-21(17,18)14-10-13(11-15-3)20-12(14)2/h10,15-16H,4-9,11H2,1-3H3.
What are the key properties of N-(3-butoxypropyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide?
N-(3-butoxypropyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide has a molecular weight of 318.44 g/mol, XLogP of 1.79, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide is sourced from PubChem (CID 106080376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).