2-methoxy-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)ethanesulfonamide;hydrochloride

C₉H₁₉ClN₂O₃S — CID 120721104

About 2-methoxy-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)ethanesulfonamide;hydrochloride

2-methoxy-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)ethanesulfonamide;hydrochloride (PubChem CID 120721104) has the molecular formula C₉H₁₉ClN₂O₃S and a molecular weight of 270.78 g/mol. Its IUPAC name is 2-methoxy-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)ethanesulfonamide;hydrochloride.

Molecular Properties

• Compound Name: 2-methoxy-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)ethanesulfonamide;hydrochloride
• PubChem CID: 120721104
• Molecular Formula: C₉H₁₉ClN₂O₃S
• Molecular Weight: 270.78 g/mol
• Exact Mass: 270.08
• IUPAC Name: 2-methoxy-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)ethanesulfonamide;hydrochloride
• SMILES: COCCS(=O)(=O)NCC1=CCNCC1.Cl
• InChI: InChI=1S/C9H18N2O3S.ClH/c1-14-6-7-15(12,13)11-8-9-2-4-10-5-3-9;/h2,10-11H,3-8H2,1H3;1H
• InChIKey: FVDLIEWWJIZDPX-UHFFFAOYSA-N
• XLogP: -0.11
• TPSA: 67.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	270.78
LogP ≤ 5	-0.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)ethanesulfonamide;hydrochloride?

The IUPAC name of 2-methoxy-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)ethanesulfonamide;hydrochloride (CID 120721104) is 2-methoxy-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)ethanesulfonamide;hydrochloride.

What is the SMILES notation for 2-methoxy-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)ethanesulfonamide;hydrochloride?

The canonical SMILES for 2-methoxy-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)ethanesulfonamide;hydrochloride is COCCS(=O)(=O)NCC1=CCNCC1.Cl.

What is the InChIKey of 2-methoxy-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)ethanesulfonamide;hydrochloride?

The InChIKey is FVDLIEWWJIZDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S.ClH/c1-14-6-7-15(12,13)11-8-9-2-4-10-5-3-9;/h2,10-11H,3-8H2,1H3;1H.

What are the key properties of 2-methoxy-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)ethanesulfonamide;hydrochloride?

2-methoxy-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)ethanesulfonamide;hydrochloride has a molecular weight of 270.78 g/mol, XLogP of -0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)ethanesulfonamide;hydrochloride is sourced from PubChem (CID 120721104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 120721104 — identifiers, structure, computed properties (public domain)

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