N-methyl-1-(5-methylfuran-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine

C14H24N2O3S — CID 105011016

IUPACN-methyl-1-(5-methylfuran-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
SMILESCNC(CC1CCCN(S(C)(=O)=O)C1)c1coc(C)c1
InChIInChI=1S/C14H24N2O3S/c1-11-7-13(10-19-11)14(15-2)8-12-5-4-6-16(9-12)20(3,17)18/h7,10,12,14-15H,4-6,8-9H2,1-3H3
InChIKeyDZJXUHNDXPIHFI-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.91
Rot. Bonds5

About N-methyl-1-(5-methylfuran-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine

N-methyl-1-(5-methylfuran-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine (PubChem CID 105011016) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is N-methyl-1-(5-methylfuran-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(5-methylfuran-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
PubChem CID105011016
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC NameN-methyl-1-(5-methylfuran-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
SMILESCNC(CC1CCCN(S(C)(=O)=O)C1)c1coc(C)c1
InChIInChI=1S/C14H24N2O3S/c1-11-7-13(10-19-11)14(15-2)8-12-5-4-6-16(9-12)20(3,17)18/h7,10,12,14-15H,4-6,8-9H2,1-3H3
InChIKeyDZJXUHNDXPIHFI-UHFFFAOYSA-N
XLogP1.91
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-N-methyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79609321
N-methyl-1-(1-methylpyrazol-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79610045
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
CID 79611003
1-(3-chloro-4-pyridinyl)-N-methyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105167000
[1-(2-chlorofuran-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine
CID 106694587
[1-(5-fluoro-3-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine
CID 105322812
1-(4-bromothiophen-2-yl)-N-ethyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79610527
N-methyl-1-methylsulfanyl-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine
CID 79612431
4-ethoxy-N-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
CID 105166964
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)-3-phenylpropan-2-amine
CID 79609569
N-ethyl-1-(1-methylsulfonylpiperidin-3-yl)propan-2-amine
CID 79611008
N-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-2-amine
CID 79610239

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methylfuran-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine?
The IUPAC name of N-methyl-1-(5-methylfuran-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine (CID 105011016) is N-methyl-1-(5-methylfuran-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(5-methylfuran-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine?
The canonical SMILES for N-methyl-1-(5-methylfuran-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine is CNC(CC1CCCN(S(C)(=O)=O)C1)c1coc(C)c1.
What is the InChIKey of N-methyl-1-(5-methylfuran-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine?
The InChIKey is DZJXUHNDXPIHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-11-7-13(10-19-11)14(15-2)8-12-5-4-6-16(9-12)20(3,17)18/h7,10,12,14-15H,4-6,8-9H2,1-3H3.
What are the key properties of N-methyl-1-(5-methylfuran-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine?
N-methyl-1-(5-methylfuran-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine has a molecular weight of 300.42 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methylfuran-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine is sourced from PubChem (CID 105011016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).