N-methyl-2-(1-methylsulfonylpiperidin-4-yl)ethanamine

C9H20N2O2S — CID 17221590

IUPACN-methyl-2-(1-methylsulfonylpiperidin-4-yl)ethanamine
SMILESCNCCC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C9H20N2O2S/c1-10-6-3-9-4-7-11(8-5-9)14(2,12)13/h9-10H,3-8H2,1-2H3
InChIKeyVELGHCNJJRJSPZ-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.27
Rot. Bonds4

About N-methyl-2-(1-methylsulfonylpiperidin-4-yl)ethanamine

N-methyl-2-(1-methylsulfonylpiperidin-4-yl)ethanamine (PubChem CID 17221590) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is N-methyl-2-(1-methylsulfonylpiperidin-4-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(1-methylsulfonylpiperidin-4-yl)ethanamine
PubChem CID17221590
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC NameN-methyl-2-(1-methylsulfonylpiperidin-4-yl)ethanamine
SMILESCNCCC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C9H20N2O2S/c1-10-6-3-9-4-7-11(8-5-9)14(2,12)13/h9-10H,3-8H2,1-2H3
InChIKeyVELGHCNJJRJSPZ-UHFFFAOYSA-N
XLogP0.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-methylsulfonylpiperidin-4-yl)ethanamine?
The IUPAC name of N-methyl-2-(1-methylsulfonylpiperidin-4-yl)ethanamine (CID 17221590) is N-methyl-2-(1-methylsulfonylpiperidin-4-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(1-methylsulfonylpiperidin-4-yl)ethanamine?
The canonical SMILES for N-methyl-2-(1-methylsulfonylpiperidin-4-yl)ethanamine is CNCCC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-methyl-2-(1-methylsulfonylpiperidin-4-yl)ethanamine?
The InChIKey is VELGHCNJJRJSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-10-6-3-9-4-7-11(8-5-9)14(2,12)13/h9-10H,3-8H2,1-2H3.
What are the key properties of N-methyl-2-(1-methylsulfonylpiperidin-4-yl)ethanamine?
N-methyl-2-(1-methylsulfonylpiperidin-4-yl)ethanamine has a molecular weight of 220.34 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-methylsulfonylpiperidin-4-yl)ethanamine is sourced from PubChem (CID 17221590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).