2-cyclohexyl-N-ethylsulfonyl-2-oxoacetamide

C10H17NO4S — CID 67356514

IUPAC2-cyclohexyl-N-ethylsulfonyl-2-oxoacetamide
SMILESCCS(=O)(=O)NC(=O)C(=O)C1CCCCC1
InChIInChI=1S/C10H17NO4S/c1-2-16(14,15)11-10(13)9(12)8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H,11,13)
InChIKeyAIGBZBOIDQOMQZ-UHFFFAOYSA-N
MW247.32 g/mol
LogP0.60
Rot. Bonds4

About 2-cyclohexyl-N-ethylsulfonyl-2-oxoacetamide

2-cyclohexyl-N-ethylsulfonyl-2-oxoacetamide (PubChem CID 67356514) has the molecular formula C10H17NO4S and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-cyclohexyl-N-ethylsulfonyl-2-oxoacetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-ethylsulfonyl-2-oxoacetamide
PubChem CID67356514
Molecular FormulaC10H17NO4S
Molecular Weight247.32 g/mol
Exact Mass247.09
IUPAC Name2-cyclohexyl-N-ethylsulfonyl-2-oxoacetamide
SMILESCCS(=O)(=O)NC(=O)C(=O)C1CCCCC1
InChIInChI=1S/C10H17NO4S/c1-2-16(14,15)11-10(13)9(12)8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H,11,13)
InChIKeyAIGBZBOIDQOMQZ-UHFFFAOYSA-N
XLogP0.60
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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(E)-1-cyclohexyl-2-ethylbut-2-en-1-one
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2-cyclododecyl-2-oxoacetic acid
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N-sulfamoylcyclohexanecarboxamide
CID 85138714
N-(cyclohexylmethyl)ethanesulfonamide
CID 6466313
cyclohexanecarboxylic acid;N-ethylethanamine
CID 175970280
(E)-1-cyclohexyl-2-methylhex-2-en-1-one
CID 10878042
1-cyclopentylethanone;propane
CID 145026358
tert-butyl 2-cyclooctyl-2-oxoacetate
CID 141407895
N-propylcyclooctanecarboxamide
CID 65022755

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-ethylsulfonyl-2-oxoacetamide?
The IUPAC name of 2-cyclohexyl-N-ethylsulfonyl-2-oxoacetamide (CID 67356514) is 2-cyclohexyl-N-ethylsulfonyl-2-oxoacetamide.
What is the SMILES notation for 2-cyclohexyl-N-ethylsulfonyl-2-oxoacetamide?
The canonical SMILES for 2-cyclohexyl-N-ethylsulfonyl-2-oxoacetamide is CCS(=O)(=O)NC(=O)C(=O)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N-ethylsulfonyl-2-oxoacetamide?
The InChIKey is AIGBZBOIDQOMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4S/c1-2-16(14,15)11-10(13)9(12)8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H,11,13).
What are the key properties of 2-cyclohexyl-N-ethylsulfonyl-2-oxoacetamide?
2-cyclohexyl-N-ethylsulfonyl-2-oxoacetamide has a molecular weight of 247.32 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-ethylsulfonyl-2-oxoacetamide is sourced from PubChem (CID 67356514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).