N-ethyl-1-(5-methylfuran-2-yl)-3-methylsulfonylpropan-1-amine

C11H19NO3S — CID 115848432

IUPACN-ethyl-1-(5-methylfuran-2-yl)-3-methylsulfonylpropan-1-amine
SMILESCCNC(CCS(C)(=O)=O)c1ccc(C)o1
InChIInChI=1S/C11H19NO3S/c1-4-12-10(7-8-16(3,13)14)11-6-5-9(2)15-11/h5-6,10,12H,4,7-8H2,1-3H3
InChIKeyILLKQUBGKHOIJR-UHFFFAOYSA-N
MW245.34 g/mol
LogP1.67
Rot. Bonds6

About N-ethyl-1-(5-methylfuran-2-yl)-3-methylsulfonylpropan-1-amine

N-ethyl-1-(5-methylfuran-2-yl)-3-methylsulfonylpropan-1-amine (PubChem CID 115848432) has the molecular formula C11H19NO3S and a molecular weight of 245.34 g/mol. Its IUPAC name is N-ethyl-1-(5-methylfuran-2-yl)-3-methylsulfonylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(5-methylfuran-2-yl)-3-methylsulfonylpropan-1-amine
PubChem CID115848432
Molecular FormulaC11H19NO3S
Molecular Weight245.34 g/mol
Exact Mass245.11
IUPAC NameN-ethyl-1-(5-methylfuran-2-yl)-3-methylsulfonylpropan-1-amine
SMILESCCNC(CCS(C)(=O)=O)c1ccc(C)o1
InChIInChI=1S/C11H19NO3S/c1-4-12-10(7-8-16(3,13)14)11-6-5-9(2)15-11/h5-6,10,12H,4,7-8H2,1-3H3
InChIKeyILLKQUBGKHOIJR-UHFFFAOYSA-N
XLogP1.67
TPSA59.31 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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(5-methylfuran-2-yl)pent-4-en-1-amine
CID 104987535
N-ethyl-1-(2-methyl-3-pyridinyl)-3-methylsulfonylpropan-1-amine
CID 114984281
N-ethyl-1-(2-methylpyrimidin-4-yl)-3-methylsulfonylpropan-1-amine
CID 115530771
N-ethyl-1-(2-fluoro-4-methylphenyl)-3-methylsulfonylpropan-1-amine
CID 115848474
1-(4-bromo-3,5-dimethylphenyl)-N-ethyl-3-methylsulfonylpropan-1-amine
CID 114330618
N-ethyl-3-methylsulfonyl-1-(2,3,4-trifluorophenyl)propan-1-amine
CID 115848221
N-ethyl-2-(furan-3-yl)-1-(5-methylfuran-2-yl)ethanamine
CID 105029983
1-(3-bromo-4-fluorophenyl)-N-ethyl-3-methylsulfonylpropan-1-amine
CID 82810385
N-ethyl-1-(5-methylfuran-2-yl)-2-(oxolan-2-yl)ethanamine
CID 65156443
N-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]ethanesulfonamide
CID 102676052
N-ethyl-1-(4-fluoro-3-methoxyphenyl)-3-methylsulfonylpropan-1-amine
CID 115848347
N-ethyl-3-methylsulfonyl-1-quinoxalin-5-ylpropan-1-amine
CID 114984120

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-methylfuran-2-yl)-3-methylsulfonylpropan-1-amine?
The IUPAC name of N-ethyl-1-(5-methylfuran-2-yl)-3-methylsulfonylpropan-1-amine (CID 115848432) is N-ethyl-1-(5-methylfuran-2-yl)-3-methylsulfonylpropan-1-amine.
What is the SMILES notation for N-ethyl-1-(5-methylfuran-2-yl)-3-methylsulfonylpropan-1-amine?
The canonical SMILES for N-ethyl-1-(5-methylfuran-2-yl)-3-methylsulfonylpropan-1-amine is CCNC(CCS(C)(=O)=O)c1ccc(C)o1.
What is the InChIKey of N-ethyl-1-(5-methylfuran-2-yl)-3-methylsulfonylpropan-1-amine?
The InChIKey is ILLKQUBGKHOIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3S/c1-4-12-10(7-8-16(3,13)14)11-6-5-9(2)15-11/h5-6,10,12H,4,7-8H2,1-3H3.
What are the key properties of N-ethyl-1-(5-methylfuran-2-yl)-3-methylsulfonylpropan-1-amine?
N-ethyl-1-(5-methylfuran-2-yl)-3-methylsulfonylpropan-1-amine has a molecular weight of 245.34 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-methylfuran-2-yl)-3-methylsulfonylpropan-1-amine is sourced from PubChem (CID 115848432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).