5-(ethylaminomethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide

C13H24N2O3S — CID 106059106

IUPAC5-(ethylaminomethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NCCC(C)C)c(C)o1
InChIInChI=1S/C13H24N2O3S/c1-5-14-9-12-8-13(11(4)18-12)19(16,17)15-7-6-10(2)3/h8,10,14-15H,5-7,9H2,1-4H3
InChIKeyQMWBAMJCHDMMIT-UHFFFAOYSA-N
MW288.41 g/mol
LogP2.02
Rot. Bonds8

About 5-(ethylaminomethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide

5-(ethylaminomethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide (PubChem CID 106059106) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide
PubChem CID106059106
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name5-(ethylaminomethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NCCC(C)C)c(C)o1
InChIInChI=1S/C13H24N2O3S/c1-5-14-9-12-8-13(11(4)18-12)19(16,17)15-7-6-10(2)3/h8,10,14-15H,5-7,9H2,1-4H3
InChIKeyQMWBAMJCHDMMIT-UHFFFAOYSA-N
XLogP2.02
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide
CID 106059070
5-(ethylaminomethyl)-2-methyl-N-(4-methylsulfanylbutan-2-yl)furan-3-sulfonamide
CID 106080199
5-(ethylaminomethyl)-2-methyl-N-[2-(oxolan-3-yl)ethyl]furan-3-sulfonamide
CID 106092877
5-(ethylaminomethyl)-2-methyl-N-[(2-methylcyclopentyl)methyl]furan-3-sulfonamide
CID 106088321
N-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-5-methylfuran-2-yl]methyl]ethanamine
CID 79187132
2-(ethylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide
CID 106059176
2-bromo-5-(ethylaminomethyl)-N-(2-methylsulfanylethyl)furan-3-sulfonamide
CID 114141319
3-(ethylaminomethyl)-4-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 106059124
5-(ethylaminomethyl)-2-methyl-N-(5-methyl-3-pyridinyl)furan-3-sulfonamide
CID 106088026
N-(cyclobutylmethyl)-2-methyl-5-(propylaminomethyl)furan-3-sulfonamide
CID 106025005
5-chloro-3-(ethylaminomethyl)-2-fluoro-N-(3-methylbutyl)benzenesulfonamide
CID 106059219
5-(ethylaminomethyl)-2-methyl-N-(1,3-thiazol-2-yl)furan-3-sulfonamide
CID 106031731

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide (CID 106059106) is 5-(ethylaminomethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide is CCNCc1cc(S(=O)(=O)NCCC(C)C)c(C)o1.
What is the InChIKey of 5-(ethylaminomethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide?
The InChIKey is QMWBAMJCHDMMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-5-14-9-12-8-13(11(4)18-12)19(16,17)15-7-6-10(2)3/h8,10,14-15H,5-7,9H2,1-4H3.
What are the key properties of 5-(ethylaminomethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide?
5-(ethylaminomethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide has a molecular weight of 288.41 g/mol, XLogP of 2.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide is sourced from PubChem (CID 106059106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).