2-(4-ethylcyclohexyl)-N-methylsulfonylacetamide

C11H21NO3S — CID 70214369

IUPAC2-(4-ethylcyclohexyl)-N-methylsulfonylacetamide
SMILESCCC1CCC(CC(=O)NS(C)(=O)=O)CC1
InChIInChI=1S/C11H21NO3S/c1-3-9-4-6-10(7-5-9)8-11(13)12-16(2,14)15/h9-10H,3-8H2,1-2H3,(H,12,13)
InChIKeyNJSLTJPVURMJBD-UHFFFAOYSA-N
MW247.36 g/mol
LogP1.67
Rot. Bonds4

About 2-(4-ethylcyclohexyl)-N-methylsulfonylacetamide

2-(4-ethylcyclohexyl)-N-methylsulfonylacetamide (PubChem CID 70214369) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is 2-(4-ethylcyclohexyl)-N-methylsulfonylacetamide.

Molecular Properties

Compound Name2-(4-ethylcyclohexyl)-N-methylsulfonylacetamide
PubChem CID70214369
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name2-(4-ethylcyclohexyl)-N-methylsulfonylacetamide
SMILESCCC1CCC(CC(=O)NS(C)(=O)=O)CC1
InChIInChI=1S/C11H21NO3S/c1-3-9-4-6-10(7-5-9)8-11(13)12-16(2,14)15/h9-10H,3-8H2,1-2H3,(H,12,13)
InChIKeyNJSLTJPVURMJBD-UHFFFAOYSA-N
XLogP1.67
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylcyclohexyl)-N-methylsulfonylacetamide?
The IUPAC name of 2-(4-ethylcyclohexyl)-N-methylsulfonylacetamide (CID 70214369) is 2-(4-ethylcyclohexyl)-N-methylsulfonylacetamide.
What is the SMILES notation for 2-(4-ethylcyclohexyl)-N-methylsulfonylacetamide?
The canonical SMILES for 2-(4-ethylcyclohexyl)-N-methylsulfonylacetamide is CCC1CCC(CC(=O)NS(C)(=O)=O)CC1.
What is the InChIKey of 2-(4-ethylcyclohexyl)-N-methylsulfonylacetamide?
The InChIKey is NJSLTJPVURMJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-3-9-4-6-10(7-5-9)8-11(13)12-16(2,14)15/h9-10H,3-8H2,1-2H3,(H,12,13).
What are the key properties of 2-(4-ethylcyclohexyl)-N-methylsulfonylacetamide?
2-(4-ethylcyclohexyl)-N-methylsulfonylacetamide has a molecular weight of 247.36 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylcyclohexyl)-N-methylsulfonylacetamide is sourced from PubChem (CID 70214369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).