2-methoxy-N-(2-piperidin-1-ylsulfonylethyl)ethanamine

C10H22N2O3S — CID 91268930

IUPAC2-methoxy-N-(2-piperidin-1-ylsulfonylethyl)ethanamine
SMILESCOCCNCCS(=O)(=O)N1CCCCC1
InChIInChI=1S/C10H22N2O3S/c1-15-9-5-11-6-10-16(13,14)12-7-3-2-4-8-12/h11H,2-10H2,1H3
InChIKeyDJRJADCZTORISE-UHFFFAOYSA-N
MW250.36 g/mol
LogP0.04
Rot. Bonds7

About 2-methoxy-N-(2-piperidin-1-ylsulfonylethyl)ethanamine

2-methoxy-N-(2-piperidin-1-ylsulfonylethyl)ethanamine (PubChem CID 91268930) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is 2-methoxy-N-(2-piperidin-1-ylsulfonylethyl)ethanamine.

Molecular Properties

Compound Name2-methoxy-N-(2-piperidin-1-ylsulfonylethyl)ethanamine
PubChem CID91268930
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC Name2-methoxy-N-(2-piperidin-1-ylsulfonylethyl)ethanamine
SMILESCOCCNCCS(=O)(=O)N1CCCCC1
InChIInChI=1S/C10H22N2O3S/c1-15-9-5-11-6-10-16(13,14)12-7-3-2-4-8-12/h11H,2-10H2,1H3
InChIKeyDJRJADCZTORISE-UHFFFAOYSA-N
XLogP0.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2-piperidin-1-ylsulfonylethyl)ethanamine?
The IUPAC name of 2-methoxy-N-(2-piperidin-1-ylsulfonylethyl)ethanamine (CID 91268930) is 2-methoxy-N-(2-piperidin-1-ylsulfonylethyl)ethanamine.
What is the SMILES notation for 2-methoxy-N-(2-piperidin-1-ylsulfonylethyl)ethanamine?
The canonical SMILES for 2-methoxy-N-(2-piperidin-1-ylsulfonylethyl)ethanamine is COCCNCCS(=O)(=O)N1CCCCC1.
What is the InChIKey of 2-methoxy-N-(2-piperidin-1-ylsulfonylethyl)ethanamine?
The InChIKey is DJRJADCZTORISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-15-9-5-11-6-10-16(13,14)12-7-3-2-4-8-12/h11H,2-10H2,1H3.
What are the key properties of 2-methoxy-N-(2-piperidin-1-ylsulfonylethyl)ethanamine?
2-methoxy-N-(2-piperidin-1-ylsulfonylethyl)ethanamine has a molecular weight of 250.36 g/mol, XLogP of 0.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2-piperidin-1-ylsulfonylethyl)ethanamine is sourced from PubChem (CID 91268930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).