4-(ethylaminomethyl)-2,5-dimethyl-N-pentan-3-ylfuran-3-sulfonamide

C14H26N2O3S — CID 106032220

IUPAC4-(ethylaminomethyl)-2,5-dimethyl-N-pentan-3-ylfuran-3-sulfonamide
SMILESCCNCc1c(C)oc(C)c1S(=O)(=O)NC(CC)CC
InChIInChI=1S/C14H26N2O3S/c1-6-12(7-2)16-20(17,18)14-11(5)19-10(4)13(14)9-15-8-3/h12,15-16H,6-9H2,1-5H3
InChIKeyPQFMJRSKLGLEHU-UHFFFAOYSA-N
MW302.44 g/mol
LogP2.47
Rot. Bonds8

About 4-(ethylaminomethyl)-2,5-dimethyl-N-pentan-3-ylfuran-3-sulfonamide

4-(ethylaminomethyl)-2,5-dimethyl-N-pentan-3-ylfuran-3-sulfonamide (PubChem CID 106032220) has the molecular formula C14H26N2O3S and a molecular weight of 302.44 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-2,5-dimethyl-N-pentan-3-ylfuran-3-sulfonamide.

Molecular Properties

Compound Name4-(ethylaminomethyl)-2,5-dimethyl-N-pentan-3-ylfuran-3-sulfonamide
PubChem CID106032220
Molecular FormulaC14H26N2O3S
Molecular Weight302.44 g/mol
Exact Mass302.17
IUPAC Name4-(ethylaminomethyl)-2,5-dimethyl-N-pentan-3-ylfuran-3-sulfonamide
SMILESCCNCc1c(C)oc(C)c1S(=O)(=O)NC(CC)CC
InChIInChI=1S/C14H26N2O3S/c1-6-12(7-2)16-20(17,18)14-11(5)19-10(4)13(14)9-15-8-3/h12,15-16H,6-9H2,1-5H3
InChIKeyPQFMJRSKLGLEHU-UHFFFAOYSA-N
XLogP2.47
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(ethylaminomethyl)-2,5-dimethyl-N-(4-methylpentan-2-yl)furan-3-sulfonamide
CID 106028812
4-(ethylaminomethyl)-2,5-dimethyl-N-(2-methylbutan-2-yl)furan-3-sulfonamide
CID 106031565
4-(ethylaminomethyl)-2,5-dimethyl-N-piperidin-1-ylfuran-3-sulfonamide
CID 106075393
4-(ethylaminomethyl)-2,5-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)furan-3-sulfonamide
CID 106080990
4-(ethylaminomethyl)-2,5-dimethyl-N-(1-methylpyrrolidin-3-yl)furan-3-sulfonamide
CID 106052694
4-(ethylaminomethyl)-2,5-dimethyl-N-(1,3-thiazol-2-yl)furan-3-sulfonamide
CID 106031890
2-(ethylaminomethyl)-4-methyl-N-pentan-3-ylthiophene-3-sulfonamide
CID 106032001
N-(1-ethoxypropan-2-yl)-2,5-dimethyl-4-(methylaminomethyl)furan-3-sulfonamide
CID 106054301
4-(ethylaminomethyl)-N,2,5-trimethyl-N-(2-methylsulfanylethyl)furan-3-sulfonamide
CID 115988305
4-(aminomethyl)-2,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)furan-3-sulfonamide
CID 114142062
5-(ethylaminomethyl)-4-methyl-N-pentan-3-ylthiophene-2-sulfonamide
CID 106031981
2-bromo-5-(ethylaminomethyl)-3-methyl-N-pentan-3-ylbenzenesulfonamide
CID 106032235

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-2,5-dimethyl-N-pentan-3-ylfuran-3-sulfonamide?
The IUPAC name of 4-(ethylaminomethyl)-2,5-dimethyl-N-pentan-3-ylfuran-3-sulfonamide (CID 106032220) is 4-(ethylaminomethyl)-2,5-dimethyl-N-pentan-3-ylfuran-3-sulfonamide.
What is the SMILES notation for 4-(ethylaminomethyl)-2,5-dimethyl-N-pentan-3-ylfuran-3-sulfonamide?
The canonical SMILES for 4-(ethylaminomethyl)-2,5-dimethyl-N-pentan-3-ylfuran-3-sulfonamide is CCNCc1c(C)oc(C)c1S(=O)(=O)NC(CC)CC.
What is the InChIKey of 4-(ethylaminomethyl)-2,5-dimethyl-N-pentan-3-ylfuran-3-sulfonamide?
The InChIKey is PQFMJRSKLGLEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3S/c1-6-12(7-2)16-20(17,18)14-11(5)19-10(4)13(14)9-15-8-3/h12,15-16H,6-9H2,1-5H3.
What are the key properties of 4-(ethylaminomethyl)-2,5-dimethyl-N-pentan-3-ylfuran-3-sulfonamide?
4-(ethylaminomethyl)-2,5-dimethyl-N-pentan-3-ylfuran-3-sulfonamide has a molecular weight of 302.44 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-2,5-dimethyl-N-pentan-3-ylfuran-3-sulfonamide is sourced from PubChem (CID 106032220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).