N-(2-ethylsulfonylethyl)-N-methyl-2-(1-methylpiperidin-2-yl)ethanamine

C13H28N2O2S — CID 71988847

IUPACN-(2-ethylsulfonylethyl)-N-methyl-2-(1-methylpiperidin-2-yl)ethanamine
SMILESCCS(=O)(=O)CCN(C)CCC1CCCCN1C
InChIInChI=1S/C13H28N2O2S/c1-4-18(16,17)12-11-14(2)10-8-13-7-5-6-9-15(13)3/h13H,4-12H2,1-3H3
InChIKeyYLPOLZUUKUGTKY-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.23
Rot. Bonds7

About N-(2-ethylsulfonylethyl)-N-methyl-2-(1-methylpiperidin-2-yl)ethanamine

N-(2-ethylsulfonylethyl)-N-methyl-2-(1-methylpiperidin-2-yl)ethanamine (PubChem CID 71988847) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N-(2-ethylsulfonylethyl)-N-methyl-2-(1-methylpiperidin-2-yl)ethanamine.

Molecular Properties

Compound NameN-(2-ethylsulfonylethyl)-N-methyl-2-(1-methylpiperidin-2-yl)ethanamine
PubChem CID71988847
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC NameN-(2-ethylsulfonylethyl)-N-methyl-2-(1-methylpiperidin-2-yl)ethanamine
SMILESCCS(=O)(=O)CCN(C)CCC1CCCCN1C
InChIInChI=1S/C13H28N2O2S/c1-4-18(16,17)12-11-14(2)10-8-13-7-5-6-9-15(13)3/h13H,4-12H2,1-3H3
InChIKeyYLPOLZUUKUGTKY-UHFFFAOYSA-N
XLogP1.23
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylethyl)-N-methyl-2-(1-methylpiperidin-2-yl)ethanamine?
The IUPAC name of N-(2-ethylsulfonylethyl)-N-methyl-2-(1-methylpiperidin-2-yl)ethanamine (CID 71988847) is N-(2-ethylsulfonylethyl)-N-methyl-2-(1-methylpiperidin-2-yl)ethanamine.
What is the SMILES notation for N-(2-ethylsulfonylethyl)-N-methyl-2-(1-methylpiperidin-2-yl)ethanamine?
The canonical SMILES for N-(2-ethylsulfonylethyl)-N-methyl-2-(1-methylpiperidin-2-yl)ethanamine is CCS(=O)(=O)CCN(C)CCC1CCCCN1C.
What is the InChIKey of N-(2-ethylsulfonylethyl)-N-methyl-2-(1-methylpiperidin-2-yl)ethanamine?
The InChIKey is YLPOLZUUKUGTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-4-18(16,17)12-11-14(2)10-8-13-7-5-6-9-15(13)3/h13H,4-12H2,1-3H3.
What are the key properties of N-(2-ethylsulfonylethyl)-N-methyl-2-(1-methylpiperidin-2-yl)ethanamine?
N-(2-ethylsulfonylethyl)-N-methyl-2-(1-methylpiperidin-2-yl)ethanamine has a molecular weight of 276.45 g/mol, XLogP of 1.23, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylethyl)-N-methyl-2-(1-methylpiperidin-2-yl)ethanamine is sourced from PubChem (CID 71988847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).