ethyl 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanylacetate

C14H25NO3S — CID 78760581

IUPACethyl 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanylacetate
SMILESCCOC(=O)CSCC(=O)NC1CCCCCCC1
InChIInChI=1S/C14H25NO3S/c1-2-18-14(17)11-19-10-13(16)15-12-8-6-4-3-5-7-9-12/h12H,2-11H2,1H3,(H,15,16)
InChIKeyWJOIUACQHSJROY-UHFFFAOYSA-N
MW287.42 g/mol
LogP2.51
Rot. Bonds6

About ethyl 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanylacetate

ethyl 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanylacetate (PubChem CID 78760581) has the molecular formula C14H25NO3S and a molecular weight of 287.42 g/mol. Its IUPAC name is ethyl 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanylacetate
PubChem CID78760581
Molecular FormulaC14H25NO3S
Molecular Weight287.42 g/mol
Exact Mass287.16
IUPAC Nameethyl 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanylacetate
SMILESCCOC(=O)CSCC(=O)NC1CCCCCCC1
InChIInChI=1S/C14H25NO3S/c1-2-18-14(17)11-19-10-13(16)15-12-8-6-4-3-5-7-9-12/h12H,2-11H2,1H3,(H,15,16)
InChIKeyWJOIUACQHSJROY-UHFFFAOYSA-N
XLogP2.51
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.42
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-aminobutylsulfanyl)-N-cycloheptylacetamide
CID 66232120
2-(2-amino-2-methylpropyl)sulfanyl-N-cyclohexylacetamide
CID 66223801
ethyl 4-[[2-(cyclopentylamino)-2-oxoethyl]amino]butanoate
CID 60648375
2-(2-amino-2-methylpropyl)sulfanyl-N-cyclopentylacetamide
CID 66221452
ethyl 2-(2-amino-2-cyclopentylethyl)sulfanylacetate
CID 104755112
methyl 2-[1-[[2-(cycloheptylamino)-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetate
CID 107775985
ethyl 2-[[3-(cyclohexylamino)-3-oxopropyl]-ethylamino]acetate
CID 62026563
N-cyclooctylpropanamide
CID 3387497
N-cyclododecylpropanamide
CID 2784600
N-cyclodecylpropanamide
CID 122483649
N-cyclohexyl-2-ethoxyacetamide
CID 4141421
2-(cyanomethylsulfanyl)-N-cyclohexylacetamide
CID 60746455

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanylacetate?
The IUPAC name of ethyl 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanylacetate (CID 78760581) is ethyl 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanylacetate.
What is the SMILES notation for ethyl 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanylacetate?
The canonical SMILES for ethyl 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanylacetate is CCOC(=O)CSCC(=O)NC1CCCCCCC1.
What is the InChIKey of ethyl 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanylacetate?
The InChIKey is WJOIUACQHSJROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3S/c1-2-18-14(17)11-19-10-13(16)15-12-8-6-4-3-5-7-9-12/h12H,2-11H2,1H3,(H,15,16).
What are the key properties of ethyl 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanylacetate?
ethyl 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanylacetate has a molecular weight of 287.42 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanylacetate is sourced from PubChem (CID 78760581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).