4-ethylsulfonyl-1-(3-methylfuran-2-yl)-N-propylbutan-1-amine

C14H25NO3S — CID 104806146

IUPAC4-ethylsulfonyl-1-(3-methylfuran-2-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCCS(=O)(=O)CC)c1occc1C
InChIInChI=1S/C14H25NO3S/c1-4-9-15-13(14-12(3)8-10-18-14)7-6-11-19(16,17)5-2/h8,10,13,15H,4-7,9,11H2,1-3H3
InChIKeyIXKFXUAAMMDFLA-UHFFFAOYSA-N
MW287.42 g/mol
LogP2.84
Rot. Bonds9

About 4-ethylsulfonyl-1-(3-methylfuran-2-yl)-N-propylbutan-1-amine

4-ethylsulfonyl-1-(3-methylfuran-2-yl)-N-propylbutan-1-amine (PubChem CID 104806146) has the molecular formula C14H25NO3S and a molecular weight of 287.42 g/mol. Its IUPAC name is 4-ethylsulfonyl-1-(3-methylfuran-2-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name4-ethylsulfonyl-1-(3-methylfuran-2-yl)-N-propylbutan-1-amine
PubChem CID104806146
Molecular FormulaC14H25NO3S
Molecular Weight287.42 g/mol
Exact Mass287.16
IUPAC Name4-ethylsulfonyl-1-(3-methylfuran-2-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCCS(=O)(=O)CC)c1occc1C
InChIInChI=1S/C14H25NO3S/c1-4-9-15-13(14-12(3)8-10-18-14)7-6-11-19(16,17)5-2/h8,10,13,15H,4-7,9,11H2,1-3H3
InChIKeyIXKFXUAAMMDFLA-UHFFFAOYSA-N
XLogP2.84
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylfuran-2-yl)-N-propylpropan-1-amine
CID 104805698
4-ethylsulfonyl-1-(5-methylfuran-3-yl)-N-propylbutan-1-amine
CID 115865314
1-(5-chloro-2-methylphenyl)-4-ethylsulfonyl-N-propylbutan-1-amine
CID 115865190
N-ethyl-1-(3-methylfuran-2-yl)decan-1-amine
CID 104805306
N-ethyl-1-(3-methylfuran-2-yl)octan-1-amine
CID 104805256
4-ethylsulfonyl-1-(3-methyl-2-pyridinyl)-N-propylbutan-1-amine
CID 65095907
N-[2-(4-ethylphenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 104806069
4-ethylsulfonyl-N-propyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine
CID 104986249
N-ethyl-5-methyl-1-(3-methylfuran-2-yl)hexan-1-amine
CID 104805236
1-(3-chloro-4-methylthiophen-2-yl)-4-ethylsulfonyl-N-propylbutan-1-amine
CID 103406216
4-ethylsulfonyl-N-propyl-1-pyridin-2-ylbutan-1-amine
CID 65095498
4-ethylsulfonyl-1-(3-fluorophenyl)-N-propylbutan-1-amine
CID 65095394

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-1-(3-methylfuran-2-yl)-N-propylbutan-1-amine?
The IUPAC name of 4-ethylsulfonyl-1-(3-methylfuran-2-yl)-N-propylbutan-1-amine (CID 104806146) is 4-ethylsulfonyl-1-(3-methylfuran-2-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 4-ethylsulfonyl-1-(3-methylfuran-2-yl)-N-propylbutan-1-amine?
The canonical SMILES for 4-ethylsulfonyl-1-(3-methylfuran-2-yl)-N-propylbutan-1-amine is CCCNC(CCCS(=O)(=O)CC)c1occc1C.
What is the InChIKey of 4-ethylsulfonyl-1-(3-methylfuran-2-yl)-N-propylbutan-1-amine?
The InChIKey is IXKFXUAAMMDFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3S/c1-4-9-15-13(14-12(3)8-10-18-14)7-6-11-19(16,17)5-2/h8,10,13,15H,4-7,9,11H2,1-3H3.
What are the key properties of 4-ethylsulfonyl-1-(3-methylfuran-2-yl)-N-propylbutan-1-amine?
4-ethylsulfonyl-1-(3-methylfuran-2-yl)-N-propylbutan-1-amine has a molecular weight of 287.42 g/mol, XLogP of 2.84, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-1-(3-methylfuran-2-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 104806146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).