4-(ethylamino)-N-[1-(5-methylfuran-2-yl)ethyl]butane-1-sulfonamide

C13H24N2O3S — CID 106003380

IUPAC4-(ethylamino)-N-[1-(5-methylfuran-2-yl)ethyl]butane-1-sulfonamide
SMILESCCNCCCCS(=O)(=O)NC(C)c1ccc(C)o1
InChIInChI=1S/C13H24N2O3S/c1-4-14-9-5-6-10-19(16,17)15-12(3)13-8-7-11(2)18-13/h7-8,12,14-15H,4-6,9-10H2,1-3H3
InChIKeyLSXXZYISGVJDRG-UHFFFAOYSA-N
MW288.41 g/mol
LogP1.96
Rot. Bonds9

About 4-(ethylamino)-N-[1-(5-methylfuran-2-yl)ethyl]butane-1-sulfonamide

4-(ethylamino)-N-[1-(5-methylfuran-2-yl)ethyl]butane-1-sulfonamide (PubChem CID 106003380) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is 4-(ethylamino)-N-[1-(5-methylfuran-2-yl)ethyl]butane-1-sulfonamide.

Molecular Properties

Compound Name4-(ethylamino)-N-[1-(5-methylfuran-2-yl)ethyl]butane-1-sulfonamide
PubChem CID106003380
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name4-(ethylamino)-N-[1-(5-methylfuran-2-yl)ethyl]butane-1-sulfonamide
SMILESCCNCCCCS(=O)(=O)NC(C)c1ccc(C)o1
InChIInChI=1S/C13H24N2O3S/c1-4-14-9-5-6-10-19(16,17)15-12(3)13-8-7-11(2)18-13/h7-8,12,14-15H,4-6,9-10H2,1-3H3
InChIKeyLSXXZYISGVJDRG-UHFFFAOYSA-N
XLogP1.96
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[1-(5-methylfuran-2-yl)ethyl]butane-1-sulfonamide
CID 54958432
1-bromo-N-[1-(5-methylfuran-2-yl)ethyl]methanesulfonamide
CID 83084663
4-(ethylamino)-N-[1-(4-methylphenyl)ethyl]butane-1-sulfonamide
CID 106011733
N-methyl-3-[1-(5-methylfuran-2-yl)ethylamino]propane-1-sulfonamide
CID 75504665
3-ethylsulfonyl-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 65092779
N-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]ethanesulfonamide
CID 102676052
4-(ethylamino)-N-[1-(4-fluorophenyl)propan-2-yl]butane-1-sulfonamide
CID 106062304
4-(ethylamino)-N-(2-propan-2-ylphenyl)butane-1-sulfonamide
CID 106057914
4-(ethylamino)-N-(1-methoxybutan-2-yl)butane-1-sulfonamide
CID 106068224
4-(ethylamino)-N-(1-methylsulfanylbutan-2-yl)butane-1-sulfonamide
CID 114142289
3-(ethylamino)-N-[1-(2H-tetrazol-5-yl)ethyl]propane-1-sulfonamide
CID 106051367
4-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 60652418

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-[1-(5-methylfuran-2-yl)ethyl]butane-1-sulfonamide?
The IUPAC name of 4-(ethylamino)-N-[1-(5-methylfuran-2-yl)ethyl]butane-1-sulfonamide (CID 106003380) is 4-(ethylamino)-N-[1-(5-methylfuran-2-yl)ethyl]butane-1-sulfonamide.
What is the SMILES notation for 4-(ethylamino)-N-[1-(5-methylfuran-2-yl)ethyl]butane-1-sulfonamide?
The canonical SMILES for 4-(ethylamino)-N-[1-(5-methylfuran-2-yl)ethyl]butane-1-sulfonamide is CCNCCCCS(=O)(=O)NC(C)c1ccc(C)o1.
What is the InChIKey of 4-(ethylamino)-N-[1-(5-methylfuran-2-yl)ethyl]butane-1-sulfonamide?
The InChIKey is LSXXZYISGVJDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-4-14-9-5-6-10-19(16,17)15-12(3)13-8-7-11(2)18-13/h7-8,12,14-15H,4-6,9-10H2,1-3H3.
What are the key properties of 4-(ethylamino)-N-[1-(5-methylfuran-2-yl)ethyl]butane-1-sulfonamide?
4-(ethylamino)-N-[1-(5-methylfuran-2-yl)ethyl]butane-1-sulfonamide has a molecular weight of 288.41 g/mol, XLogP of 1.96, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-[1-(5-methylfuran-2-yl)ethyl]butane-1-sulfonamide is sourced from PubChem (CID 106003380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).