4-(ethylaminomethyl)-N,2,5-trimethyl-N-(2-methylsulfanylethyl)furan-3-sulfonamide

C13H24N2O3S2 — CID 115988305

IUPAC4-(ethylaminomethyl)-N,2,5-trimethyl-N-(2-methylsulfanylethyl)furan-3-sulfonamide
SMILESCCNCc1c(C)oc(C)c1S(=O)(=O)N(C)CCSC
InChIInChI=1S/C13H24N2O3S2/c1-6-14-9-12-10(2)18-11(3)13(12)20(16,17)15(4)7-8-19-5/h14H,6-9H2,1-5H3
InChIKeyUYIXVCNTTSGEEW-UHFFFAOYSA-N
MW320.48 g/mol
LogP1.99
Rot. Bonds8

About 4-(ethylaminomethyl)-N,2,5-trimethyl-N-(2-methylsulfanylethyl)furan-3-sulfonamide

4-(ethylaminomethyl)-N,2,5-trimethyl-N-(2-methylsulfanylethyl)furan-3-sulfonamide (PubChem CID 115988305) has the molecular formula C13H24N2O3S2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-N,2,5-trimethyl-N-(2-methylsulfanylethyl)furan-3-sulfonamide.

Molecular Properties

Compound Name4-(ethylaminomethyl)-N,2,5-trimethyl-N-(2-methylsulfanylethyl)furan-3-sulfonamide
PubChem CID115988305
Molecular FormulaC13H24N2O3S2
Molecular Weight320.48 g/mol
Exact Mass320.12
IUPAC Name4-(ethylaminomethyl)-N,2,5-trimethyl-N-(2-methylsulfanylethyl)furan-3-sulfonamide
SMILESCCNCc1c(C)oc(C)c1S(=O)(=O)N(C)CCSC
InChIInChI=1S/C13H24N2O3S2/c1-6-14-9-12-10(2)18-11(3)13(12)20(16,17)15(4)7-8-19-5/h14H,6-9H2,1-5H3
InChIKeyUYIXVCNTTSGEEW-UHFFFAOYSA-N
XLogP1.99
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(ethylaminomethyl)-N,4-dimethyl-N-(2-methylsulfanylethyl)thiophene-2-sulfonamide
CID 112667235
4-(ethylaminomethyl)-2,5-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)furan-3-sulfonamide
CID 106080990
4-(ethylaminomethyl)-2,5-dimethyl-N-pentan-3-ylfuran-3-sulfonamide
CID 106032220
4-chloro-3-(ethylaminomethyl)-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 115988345
N,2-dimethyl-5-(methylaminomethyl)-N-(2-methylsulfanylethyl)furan-3-sulfonamide
CID 112667287
4-(ethylaminomethyl)-2,5-dimethyl-N-(4-methylpentan-2-yl)furan-3-sulfonamide
CID 106028812
4-(ethylaminomethyl)-2,5-dimethyl-N-piperidin-1-ylfuran-3-sulfonamide
CID 106075393
3-amino-N,2,6-trimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112656524
4-(ethylaminomethyl)-2,5-dimethyl-N-(1,3-thiazol-2-yl)furan-3-sulfonamide
CID 106031890
N-methyl-N-(2-methylsulfanylethyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 112667299
1-(3-aminopropyl)-N,3,5-trimethyl-N-(2-methylsulfanylethyl)pyrazole-4-sulfonamide
CID 115988244
methyl 4-[2-hydroxyethyl(methyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate
CID 54879547

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-N,2,5-trimethyl-N-(2-methylsulfanylethyl)furan-3-sulfonamide?
The IUPAC name of 4-(ethylaminomethyl)-N,2,5-trimethyl-N-(2-methylsulfanylethyl)furan-3-sulfonamide (CID 115988305) is 4-(ethylaminomethyl)-N,2,5-trimethyl-N-(2-methylsulfanylethyl)furan-3-sulfonamide.
What is the SMILES notation for 4-(ethylaminomethyl)-N,2,5-trimethyl-N-(2-methylsulfanylethyl)furan-3-sulfonamide?
The canonical SMILES for 4-(ethylaminomethyl)-N,2,5-trimethyl-N-(2-methylsulfanylethyl)furan-3-sulfonamide is CCNCc1c(C)oc(C)c1S(=O)(=O)N(C)CCSC.
What is the InChIKey of 4-(ethylaminomethyl)-N,2,5-trimethyl-N-(2-methylsulfanylethyl)furan-3-sulfonamide?
The InChIKey is UYIXVCNTTSGEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S2/c1-6-14-9-12-10(2)18-11(3)13(12)20(16,17)15(4)7-8-19-5/h14H,6-9H2,1-5H3.
What are the key properties of 4-(ethylaminomethyl)-N,2,5-trimethyl-N-(2-methylsulfanylethyl)furan-3-sulfonamide?
4-(ethylaminomethyl)-N,2,5-trimethyl-N-(2-methylsulfanylethyl)furan-3-sulfonamide has a molecular weight of 320.48 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-N,2,5-trimethyl-N-(2-methylsulfanylethyl)furan-3-sulfonamide is sourced from PubChem (CID 115988305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).