4-ethylsulfonyl-1-(5-methylfuran-3-yl)butan-1-amine

C11H19NO3S — CID 115865315

IUPAC4-ethylsulfonyl-1-(5-methylfuran-3-yl)butan-1-amine
SMILESCCS(=O)(=O)CCCC(N)c1coc(C)c1
InChIInChI=1S/C11H19NO3S/c1-3-16(13,14)6-4-5-11(12)10-7-9(2)15-8-10/h7-8,11H,3-6,12H2,1-2H3
InChIKeyKFLONNQTWIQUOD-UHFFFAOYSA-N
MW245.34 g/mol
LogP1.80
Rot. Bonds6

About 4-ethylsulfonyl-1-(5-methylfuran-3-yl)butan-1-amine

4-ethylsulfonyl-1-(5-methylfuran-3-yl)butan-1-amine (PubChem CID 115865315) has the molecular formula C11H19NO3S and a molecular weight of 245.34 g/mol. Its IUPAC name is 4-ethylsulfonyl-1-(5-methylfuran-3-yl)butan-1-amine.

Molecular Properties

Compound Name4-ethylsulfonyl-1-(5-methylfuran-3-yl)butan-1-amine
PubChem CID115865315
Molecular FormulaC11H19NO3S
Molecular Weight245.34 g/mol
Exact Mass245.11
IUPAC Name4-ethylsulfonyl-1-(5-methylfuran-3-yl)butan-1-amine
SMILESCCS(=O)(=O)CCCC(N)c1coc(C)c1
InChIInChI=1S/C11H19NO3S/c1-3-16(13,14)6-4-5-11(12)10-7-9(2)15-8-10/h7-8,11H,3-6,12H2,1-2H3
InChIKeyKFLONNQTWIQUOD-UHFFFAOYSA-N
XLogP1.80
TPSA73.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methylfuran-3-yl)butan-1-amine
CID 82416831
4-ethylsulfonyl-1-(5-methylfuran-3-yl)-N-propylbutan-1-amine
CID 115865314
1-(4-ethylsulfanylphenyl)-4-ethylsulfonylbutan-1-amine
CID 106848542
4-ethylsulfonyl-1-pyrimidin-5-ylbutan-1-amine
CID 102923473
1-(6-bromonaphthalen-2-yl)-4-ethylsulfonylbutan-1-amine
CID 104986238
1-(3-chlorophenyl)-4-ethylsulfonylbutan-1-amine
CID 65095643
4-ethylsulfonyl-1-(3-fluoro-4-methoxyphenyl)butan-1-amine
CID 104986185
1-(2,6-difluorophenyl)-4-ethylsulfonylbutan-1-amine
CID 79522023
1-(4-bromothiophen-2-yl)-4-ethylsulfonylbutan-1-amine
CID 65095567
4-ethylsulfonyl-1-(3-propoxyphenyl)butan-1-amine
CID 115865348
4-ethylsulfonyl-1-(2-fluorophenyl)butan-1-amine
CID 65095963
1-(2,5-dibromothiophen-3-yl)-4-ethylsulfonylbutan-1-amine
CID 107968351

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-1-(5-methylfuran-3-yl)butan-1-amine?
The IUPAC name of 4-ethylsulfonyl-1-(5-methylfuran-3-yl)butan-1-amine (CID 115865315) is 4-ethylsulfonyl-1-(5-methylfuran-3-yl)butan-1-amine.
What is the SMILES notation for 4-ethylsulfonyl-1-(5-methylfuran-3-yl)butan-1-amine?
The canonical SMILES for 4-ethylsulfonyl-1-(5-methylfuran-3-yl)butan-1-amine is CCS(=O)(=O)CCCC(N)c1coc(C)c1.
What is the InChIKey of 4-ethylsulfonyl-1-(5-methylfuran-3-yl)butan-1-amine?
The InChIKey is KFLONNQTWIQUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3S/c1-3-16(13,14)6-4-5-11(12)10-7-9(2)15-8-10/h7-8,11H,3-6,12H2,1-2H3.
What are the key properties of 4-ethylsulfonyl-1-(5-methylfuran-3-yl)butan-1-amine?
4-ethylsulfonyl-1-(5-methylfuran-3-yl)butan-1-amine has a molecular weight of 245.34 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-1-(5-methylfuran-3-yl)butan-1-amine is sourced from PubChem (CID 115865315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).