2-methoxy-2-(1-methylsulfonylpiperidin-4-yl)ethanamine

C9H20N2O3S — CID 66617815

IUPAC2-methoxy-2-(1-methylsulfonylpiperidin-4-yl)ethanamine
SMILESCOC(CN)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C9H20N2O3S/c1-14-9(7-10)8-3-5-11(6-4-8)15(2,12)13/h8-9H,3-7,10H2,1-2H3
InChIKeyICMYFDZNNDZCOQ-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.37
Rot. Bonds4

About 2-methoxy-2-(1-methylsulfonylpiperidin-4-yl)ethanamine

2-methoxy-2-(1-methylsulfonylpiperidin-4-yl)ethanamine (PubChem CID 66617815) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-methoxy-2-(1-methylsulfonylpiperidin-4-yl)ethanamine.

Molecular Properties

Compound Name2-methoxy-2-(1-methylsulfonylpiperidin-4-yl)ethanamine
PubChem CID66617815
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC Name2-methoxy-2-(1-methylsulfonylpiperidin-4-yl)ethanamine
SMILESCOC(CN)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C9H20N2O3S/c1-14-9(7-10)8-3-5-11(6-4-8)15(2,12)13/h8-9H,3-7,10H2,1-2H3
InChIKeyICMYFDZNNDZCOQ-UHFFFAOYSA-N
XLogP-0.37
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-(1-methylsulfonylpiperidin-4-yl)ethanamine?
The IUPAC name of 2-methoxy-2-(1-methylsulfonylpiperidin-4-yl)ethanamine (CID 66617815) is 2-methoxy-2-(1-methylsulfonylpiperidin-4-yl)ethanamine.
What is the SMILES notation for 2-methoxy-2-(1-methylsulfonylpiperidin-4-yl)ethanamine?
The canonical SMILES for 2-methoxy-2-(1-methylsulfonylpiperidin-4-yl)ethanamine is COC(CN)C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 2-methoxy-2-(1-methylsulfonylpiperidin-4-yl)ethanamine?
The InChIKey is ICMYFDZNNDZCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-14-9(7-10)8-3-5-11(6-4-8)15(2,12)13/h8-9H,3-7,10H2,1-2H3.
What are the key properties of 2-methoxy-2-(1-methylsulfonylpiperidin-4-yl)ethanamine?
2-methoxy-2-(1-methylsulfonylpiperidin-4-yl)ethanamine has a molecular weight of 236.34 g/mol, XLogP of -0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-(1-methylsulfonylpiperidin-4-yl)ethanamine is sourced from PubChem (CID 66617815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).