N-ethyl-4-ethylsulfonyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine

C15H27NO3S — CID 115865157

IUPACN-ethyl-4-ethylsulfonyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine
SMILESCCNC(CCCS(=O)(=O)CC)c1c(C)oc(C)c1C
InChIInChI=1S/C15H27NO3S/c1-6-16-14(9-8-10-20(17,18)7-2)15-11(3)12(4)19-13(15)5/h14,16H,6-10H2,1-5H3
InChIKeyXXECAKIWUQTXTM-UHFFFAOYSA-N
MW301.45 g/mol
LogP3.07
Rot. Bonds8

About N-ethyl-4-ethylsulfonyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine

N-ethyl-4-ethylsulfonyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine (PubChem CID 115865157) has the molecular formula C15H27NO3S and a molecular weight of 301.45 g/mol. Its IUPAC name is N-ethyl-4-ethylsulfonyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-ethylsulfonyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine
PubChem CID115865157
Molecular FormulaC15H27NO3S
Molecular Weight301.45 g/mol
Exact Mass301.17
IUPAC NameN-ethyl-4-ethylsulfonyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine
SMILESCCNC(CCCS(=O)(=O)CC)c1c(C)oc(C)c1C
InChIInChI=1S/C15H27NO3S/c1-6-16-14(9-8-10-20(17,18)7-2)15-11(3)12(4)19-13(15)5/h14,16H,6-10H2,1-5H3
InChIKeyXXECAKIWUQTXTM-UHFFFAOYSA-N
XLogP3.07
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.45
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethylsulfonyl-N-propyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine
CID 104986249
N-ethyl-4-phenyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine
CID 115849308
3-cyclopropyl-N-ethyl-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine
CID 104994734
N-propyl-1-(2,4,5-trimethylfuran-3-yl)nonan-1-amine
CID 115835826
N-ethyl-4-ethylsulfonyl-1-(2-fluoro-3-methylphenyl)butan-1-amine
CID 115865493
1-(2-chloro-3-methylphenyl)-N-ethyl-4-ethylsulfonylbutan-1-amine
CID 115865374
1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-4-ethylsulfonylbutan-1-amine
CID 105152645
1-(5-bromothiophen-3-yl)-N-ethyl-4-ethylsulfonylbutan-1-amine
CID 105152557
N-ethyl-4-ethylsulfonyl-1-(4-ethylthiadiazol-5-yl)butan-1-amine
CID 105152683
N-ethyl-4-ethylsulfonyl-1-pyrazin-2-ylbutan-1-amine
CID 65095551
N-ethyl-3-(1-methylimidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine
CID 105049697
N-ethyl-3-(1-methylpyrazol-4-yl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine
CID 103030288

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-ethylsulfonyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine?
The IUPAC name of N-ethyl-4-ethylsulfonyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine (CID 115865157) is N-ethyl-4-ethylsulfonyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-4-ethylsulfonyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine?
The canonical SMILES for N-ethyl-4-ethylsulfonyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine is CCNC(CCCS(=O)(=O)CC)c1c(C)oc(C)c1C.
What is the InChIKey of N-ethyl-4-ethylsulfonyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine?
The InChIKey is XXECAKIWUQTXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3S/c1-6-16-14(9-8-10-20(17,18)7-2)15-11(3)12(4)19-13(15)5/h14,16H,6-10H2,1-5H3.
What are the key properties of N-ethyl-4-ethylsulfonyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine?
N-ethyl-4-ethylsulfonyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine has a molecular weight of 301.45 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-ethylsulfonyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine is sourced from PubChem (CID 115865157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).