2-(diethylamino)ethyl 2-propylsulfanylpentanoate

C14H29NO2S — CID 3052725

IUPAC2-(diethylamino)ethyl 2-propylsulfanylpentanoate
SMILESCCCSC(CCC)C(=O)OCCN(CC)CC
InChIInChI=1S/C14H29NO2S/c1-5-9-13(18-12-6-2)14(16)17-11-10-15(7-3)8-4/h13H,5-12H2,1-4H3
InChIKeyRYBKAJGMWWENHP-UHFFFAOYSA-N
MW275.46 g/mol
LogP3.18
Rot. Bonds11

About 2-(diethylamino)ethyl 2-propylsulfanylpentanoate

2-(diethylamino)ethyl 2-propylsulfanylpentanoate (PubChem CID 3052725) has the molecular formula C14H29NO2S and a molecular weight of 275.46 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 2-propylsulfanylpentanoate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 2-propylsulfanylpentanoate
PubChem CID3052725
Molecular FormulaC14H29NO2S
Molecular Weight275.46 g/mol
Exact Mass275.19
IUPAC Name2-(diethylamino)ethyl 2-propylsulfanylpentanoate
SMILESCCCSC(CCC)C(=O)OCCN(CC)CC
InChIInChI=1S/C14H29NO2S/c1-5-9-13(18-12-6-2)14(16)17-11-10-15(7-3)8-4/h13H,5-12H2,1-4H3
InChIKeyRYBKAJGMWWENHP-UHFFFAOYSA-N
XLogP3.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(diethylamino)ethylsulfanyl]pentanoic acid
CID 83038190
2-(diethylamino)ethyl (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride
CID 175942177
propyl 2-(4-fluoroheptylsulfanyl)pentanoate
CID 87340130
ethyl 2-(3-aminopropylsulfanyl)pentanoate
CID 83038657
butyl 2-(4-fluorohexylsulfanyl)pentanoate
CID 87340178
2-(diethylamino)ethyl 2,6-diaminohexanoate
CID 175459866
2-(diethylamino)ethyl (2S)-2,6-diaminohexanoate
CID 175942176
2-(diethylamino)ethyl pentanoate
CID 14795466
butyl 2-(4,4,5,5,5-pentafluoropentylsulfanyl)pentanoate
CID 87341290
tridecyl 2-(1-oxo-1-tridecoxypentan-2-yl)sulfanylpentanoate
CID 134207786
butyl 2-(5,5-difluoroheptylsulfanyl)pentanoate
CID 87341304
2-(diethylamino)ethyl 2-cyclopentylhexanoate;hydrochloride
CID 3051020

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 2-propylsulfanylpentanoate?
The IUPAC name of 2-(diethylamino)ethyl 2-propylsulfanylpentanoate (CID 3052725) is 2-(diethylamino)ethyl 2-propylsulfanylpentanoate.
What is the SMILES notation for 2-(diethylamino)ethyl 2-propylsulfanylpentanoate?
The canonical SMILES for 2-(diethylamino)ethyl 2-propylsulfanylpentanoate is CCCSC(CCC)C(=O)OCCN(CC)CC.
What is the InChIKey of 2-(diethylamino)ethyl 2-propylsulfanylpentanoate?
The InChIKey is RYBKAJGMWWENHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2S/c1-5-9-13(18-12-6-2)14(16)17-11-10-15(7-3)8-4/h13H,5-12H2,1-4H3.
What are the key properties of 2-(diethylamino)ethyl 2-propylsulfanylpentanoate?
2-(diethylamino)ethyl 2-propylsulfanylpentanoate has a molecular weight of 275.46 g/mol, XLogP of 3.18, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 2-propylsulfanylpentanoate is sourced from PubChem (CID 3052725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).