2-ethoxy-N-(4-oxocyclohexyl)ethanesulfonamide

C10H19NO4S — CID 63245791

IUPAC2-ethoxy-N-(4-oxocyclohexyl)ethanesulfonamide
SMILESCCOCCS(=O)(=O)NC1CCC(=O)CC1
InChIInChI=1S/C10H19NO4S/c1-2-15-7-8-16(13,14)11-9-3-5-10(12)6-4-9/h9,11H,2-8H2,1H3
InChIKeyQXHAXULBEJRAHY-UHFFFAOYSA-N
MW249.33 g/mol
LogP0.45
Rot. Bonds6

About 2-ethoxy-N-(4-oxocyclohexyl)ethanesulfonamide

2-ethoxy-N-(4-oxocyclohexyl)ethanesulfonamide (PubChem CID 63245791) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is 2-ethoxy-N-(4-oxocyclohexyl)ethanesulfonamide.

Molecular Properties

Compound Name2-ethoxy-N-(4-oxocyclohexyl)ethanesulfonamide
PubChem CID63245791
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name2-ethoxy-N-(4-oxocyclohexyl)ethanesulfonamide
SMILESCCOCCS(=O)(=O)NC1CCC(=O)CC1
InChIInChI=1S/C10H19NO4S/c1-2-15-7-8-16(13,14)11-9-3-5-10(12)6-4-9/h9,11H,2-8H2,1H3
InChIKeyQXHAXULBEJRAHY-UHFFFAOYSA-N
XLogP0.45
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 50.45
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-(4-oxocyclohexyl)ethanesulfonamide?
The IUPAC name of 2-ethoxy-N-(4-oxocyclohexyl)ethanesulfonamide (CID 63245791) is 2-ethoxy-N-(4-oxocyclohexyl)ethanesulfonamide.
What is the SMILES notation for 2-ethoxy-N-(4-oxocyclohexyl)ethanesulfonamide?
The canonical SMILES for 2-ethoxy-N-(4-oxocyclohexyl)ethanesulfonamide is CCOCCS(=O)(=O)NC1CCC(=O)CC1.
What is the InChIKey of 2-ethoxy-N-(4-oxocyclohexyl)ethanesulfonamide?
The InChIKey is QXHAXULBEJRAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-2-15-7-8-16(13,14)11-9-3-5-10(12)6-4-9/h9,11H,2-8H2,1H3.
What are the key properties of 2-ethoxy-N-(4-oxocyclohexyl)ethanesulfonamide?
2-ethoxy-N-(4-oxocyclohexyl)ethanesulfonamide has a molecular weight of 249.33 g/mol, XLogP of 0.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(4-oxocyclohexyl)ethanesulfonamide is sourced from PubChem (CID 63245791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).