2-ethoxy-N-ethyl-N-piperidin-4-ylethanesulfonamide

C11H24N2O3S — CID 63246667

IUPAC2-ethoxy-N-ethyl-N-piperidin-4-ylethanesulfonamide
SMILESCCOCCS(=O)(=O)N(CC)C1CCNCC1
InChIInChI=1S/C11H24N2O3S/c1-3-13(11-5-7-12-8-6-11)17(14,15)10-9-16-4-2/h11-12H,3-10H2,1-2H3
InChIKeyCWEGEIDPQVUGGX-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.43
Rot. Bonds7

About 2-ethoxy-N-ethyl-N-piperidin-4-ylethanesulfonamide

2-ethoxy-N-ethyl-N-piperidin-4-ylethanesulfonamide (PubChem CID 63246667) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-ethoxy-N-ethyl-N-piperidin-4-ylethanesulfonamide.

Molecular Properties

Compound Name2-ethoxy-N-ethyl-N-piperidin-4-ylethanesulfonamide
PubChem CID63246667
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC Name2-ethoxy-N-ethyl-N-piperidin-4-ylethanesulfonamide
SMILESCCOCCS(=O)(=O)N(CC)C1CCNCC1
InChIInChI=1S/C11H24N2O3S/c1-3-13(11-5-7-12-8-6-11)17(14,15)10-9-16-4-2/h11-12H,3-10H2,1-2H3
InChIKeyCWEGEIDPQVUGGX-UHFFFAOYSA-N
XLogP0.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.43
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-ethoxy-N-ethyl-N-piperidin-4-ylethanesulfonamide?
The IUPAC name of 2-ethoxy-N-ethyl-N-piperidin-4-ylethanesulfonamide (CID 63246667) is 2-ethoxy-N-ethyl-N-piperidin-4-ylethanesulfonamide.
What is the SMILES notation for 2-ethoxy-N-ethyl-N-piperidin-4-ylethanesulfonamide?
The canonical SMILES for 2-ethoxy-N-ethyl-N-piperidin-4-ylethanesulfonamide is CCOCCS(=O)(=O)N(CC)C1CCNCC1.
What is the InChIKey of 2-ethoxy-N-ethyl-N-piperidin-4-ylethanesulfonamide?
The InChIKey is CWEGEIDPQVUGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-3-13(11-5-7-12-8-6-11)17(14,15)10-9-16-4-2/h11-12H,3-10H2,1-2H3.
What are the key properties of 2-ethoxy-N-ethyl-N-piperidin-4-ylethanesulfonamide?
2-ethoxy-N-ethyl-N-piperidin-4-ylethanesulfonamide has a molecular weight of 264.39 g/mol, XLogP of 0.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-ethyl-N-piperidin-4-ylethanesulfonamide is sourced from PubChem (CID 63246667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).