ethyl 6-[2-(5-chlorothiophen-2-yl)ethylamino]hexanoate

C14H22ClNO2S — CID 106036708

IUPACethyl 6-[2-(5-chlorothiophen-2-yl)ethylamino]hexanoate
SMILESCCOC(=O)CCCCCNCCc1ccc(Cl)s1
InChIInChI=1S/C14H22ClNO2S/c1-2-18-14(17)6-4-3-5-10-16-11-9-12-7-8-13(15)19-12/h7-8,16H,2-6,9-11H2,1H3
InChIKeyYAQDITFYTHBXGC-UHFFFAOYSA-N
MW303.86 g/mol
LogP3.66
Rot. Bonds10

About ethyl 6-[2-(5-chlorothiophen-2-yl)ethylamino]hexanoate

ethyl 6-[2-(5-chlorothiophen-2-yl)ethylamino]hexanoate (PubChem CID 106036708) has the molecular formula C14H22ClNO2S and a molecular weight of 303.86 g/mol. Its IUPAC name is ethyl 6-[2-(5-chlorothiophen-2-yl)ethylamino]hexanoate.

Molecular Properties

Compound Nameethyl 6-[2-(5-chlorothiophen-2-yl)ethylamino]hexanoate
PubChem CID106036708
Molecular FormulaC14H22ClNO2S
Molecular Weight303.86 g/mol
Exact Mass303.11
IUPAC Nameethyl 6-[2-(5-chlorothiophen-2-yl)ethylamino]hexanoate
SMILESCCOC(=O)CCCCCNCCc1ccc(Cl)s1
InChIInChI=1S/C14H22ClNO2S/c1-2-18-14(17)6-4-3-5-10-16-11-9-12-7-8-13(15)19-12/h7-8,16H,2-6,9-11H2,1H3
InChIKeyYAQDITFYTHBXGC-UHFFFAOYSA-N
XLogP3.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.86
LogP ≤ 53.66
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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Related Compounds

ethyl 2-[2-[2-(5-chlorothiophen-2-yl)ethylamino]ethoxy]acetate
CID 114139314
5-[2-(5-chlorothiophen-2-yl)ethylamino]pentan-1-ol
CID 106046424
ethyl 4-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]amino]butanoate
CID 86908410
tert-butyl N-[3-[2-(5-chlorothiophen-2-yl)ethylamino]propyl]carbamate
CID 107094658
methyl 4-[(5-chlorothiophen-2-yl)methylamino]butanoate
CID 60694442
ethyl 2-[2-(5-chlorothiophen-2-yl)ethylamino]butanoate
CID 106036934
methyl 8-[[4-(4-ethoxy-4-oxobutyl)phenyl]methylamino]octanoate
CID 129315330
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-methylsulfonylpropan-1-amine
CID 106046353
ethyl 6-amino-6-(5-chlorothiophen-2-yl)hexanoate
CID 60862670
ethyl 8-[5-(8-methoxy-8-oxooctyl)thiophen-2-yl]-8-oxooctanoate
CID 10670033
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-methylpentan-1-amine
CID 102671613
N-(2-butoxyethyl)-2-(5-chlorothiophen-2-yl)ethanamine
CID 106046388

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[2-(5-chlorothiophen-2-yl)ethylamino]hexanoate?
The IUPAC name of ethyl 6-[2-(5-chlorothiophen-2-yl)ethylamino]hexanoate (CID 106036708) is ethyl 6-[2-(5-chlorothiophen-2-yl)ethylamino]hexanoate.
What is the SMILES notation for ethyl 6-[2-(5-chlorothiophen-2-yl)ethylamino]hexanoate?
The canonical SMILES for ethyl 6-[2-(5-chlorothiophen-2-yl)ethylamino]hexanoate is CCOC(=O)CCCCCNCCc1ccc(Cl)s1.
What is the InChIKey of ethyl 6-[2-(5-chlorothiophen-2-yl)ethylamino]hexanoate?
The InChIKey is YAQDITFYTHBXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2S/c1-2-18-14(17)6-4-3-5-10-16-11-9-12-7-8-13(15)19-12/h7-8,16H,2-6,9-11H2,1H3.
What are the key properties of ethyl 6-[2-(5-chlorothiophen-2-yl)ethylamino]hexanoate?
ethyl 6-[2-(5-chlorothiophen-2-yl)ethylamino]hexanoate has a molecular weight of 303.86 g/mol, XLogP of 3.66, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[2-(5-chlorothiophen-2-yl)ethylamino]hexanoate is sourced from PubChem (CID 106036708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).