methyl 2-(2-amino-5-ethylcyclohexyl)sulfonylacetate

C11H21NO4S — CID 64674378

IUPACmethyl 2-(2-amino-5-ethylcyclohexyl)sulfonylacetate
SMILESCCC1CCC(N)C(S(=O)(=O)CC(=O)OC)C1
InChIInChI=1S/C11H21NO4S/c1-3-8-4-5-9(12)10(6-8)17(14,15)7-11(13)16-2/h8-10H,3-7,12H2,1-2H3
InChIKeyHJSXBZKRSMZBHM-UHFFFAOYSA-N
MW263.36 g/mol
LogP0.48
Rot. Bonds4

About methyl 2-(2-amino-5-ethylcyclohexyl)sulfonylacetate

methyl 2-(2-amino-5-ethylcyclohexyl)sulfonylacetate (PubChem CID 64674378) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is methyl 2-(2-amino-5-ethylcyclohexyl)sulfonylacetate.

Molecular Properties

Compound Namemethyl 2-(2-amino-5-ethylcyclohexyl)sulfonylacetate
PubChem CID64674378
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Namemethyl 2-(2-amino-5-ethylcyclohexyl)sulfonylacetate
SMILESCCC1CCC(N)C(S(=O)(=O)CC(=O)OC)C1
InChIInChI=1S/C11H21NO4S/c1-3-8-4-5-9(12)10(6-8)17(14,15)7-11(13)16-2/h8-10H,3-7,12H2,1-2H3
InChIKeyHJSXBZKRSMZBHM-UHFFFAOYSA-N
XLogP0.48
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-amino-5-ethylcyclohexyl)sulfonylacetate?
The IUPAC name of methyl 2-(2-amino-5-ethylcyclohexyl)sulfonylacetate (CID 64674378) is methyl 2-(2-amino-5-ethylcyclohexyl)sulfonylacetate.
What is the SMILES notation for methyl 2-(2-amino-5-ethylcyclohexyl)sulfonylacetate?
The canonical SMILES for methyl 2-(2-amino-5-ethylcyclohexyl)sulfonylacetate is CCC1CCC(N)C(S(=O)(=O)CC(=O)OC)C1.
What is the InChIKey of methyl 2-(2-amino-5-ethylcyclohexyl)sulfonylacetate?
The InChIKey is HJSXBZKRSMZBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-3-8-4-5-9(12)10(6-8)17(14,15)7-11(13)16-2/h8-10H,3-7,12H2,1-2H3.
What are the key properties of methyl 2-(2-amino-5-ethylcyclohexyl)sulfonylacetate?
methyl 2-(2-amino-5-ethylcyclohexyl)sulfonylacetate has a molecular weight of 263.36 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-amino-5-ethylcyclohexyl)sulfonylacetate is sourced from PubChem (CID 64674378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).