2-[2-(diethylamino)ethylsulfanyl]pentanoic acid

C11H23NO2S — CID 83038190

IUPAC2-[2-(diethylamino)ethylsulfanyl]pentanoic acid
SMILESCCCC(SCCN(CC)CC)C(=O)O
InChIInChI=1S/C11H23NO2S/c1-4-7-10(11(13)14)15-9-8-12(5-2)6-3/h10H,4-9H2,1-3H3,(H,13,14)
InChIKeyOISMGODXVPZPMM-UHFFFAOYSA-N
MW233.38 g/mol
LogP2.31
Rot. Bonds9

About 2-[2-(diethylamino)ethylsulfanyl]pentanoic acid

2-[2-(diethylamino)ethylsulfanyl]pentanoic acid (PubChem CID 83038190) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylsulfanyl]pentanoic acid.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylsulfanyl]pentanoic acid
PubChem CID83038190
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name2-[2-(diethylamino)ethylsulfanyl]pentanoic acid
SMILESCCCC(SCCN(CC)CC)C(=O)O
InChIInChI=1S/C11H23NO2S/c1-4-7-10(11(13)14)15-9-8-12(5-2)6-3/h10H,4-9H2,1-3H3,(H,13,14)
InChIKeyOISMGODXVPZPMM-UHFFFAOYSA-N
XLogP2.31
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-ethylsulfanylpentanoic acid
CID 1201456
2-(diethylamino)ethyl 2-propylsulfanylpentanoate
CID 3052725
2-(7,7-difluoroheptylsulfanyl)pentanoic acid
CID 87341983
4-amino-2-propylsulfanylbutanoic acid
CID 64695267
2-dodecylsulfanylhexanoic acid
CID 89266983
2-hexadecylsulfanylhexanoic acid
CID 58722589
2-(4,4-difluoropentylsulfanyl)pentanoic acid
CID 87341853
2-(2-carboxy-2-formamidoethyl)sulfanylpentanoic acid
CID 83042092
3-[2-(diethylamino)ethylsulfanyl]-2-methylpropanoic acid
CID 64914311
[2-(diethylamino)ethyldisulfanyl]-methylcarbamic acid
CID 23619551
2-(2-amino-3-methoxy-3-oxopropyl)sulfanylpentanoic acid
CID 83040640
2-(dodecyltrisulfanyl)pentanoic acid
CID 175541282

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylsulfanyl]pentanoic acid?
The IUPAC name of 2-[2-(diethylamino)ethylsulfanyl]pentanoic acid (CID 83038190) is 2-[2-(diethylamino)ethylsulfanyl]pentanoic acid.
What is the SMILES notation for 2-[2-(diethylamino)ethylsulfanyl]pentanoic acid?
The canonical SMILES for 2-[2-(diethylamino)ethylsulfanyl]pentanoic acid is CCCC(SCCN(CC)CC)C(=O)O.
What is the InChIKey of 2-[2-(diethylamino)ethylsulfanyl]pentanoic acid?
The InChIKey is OISMGODXVPZPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-4-7-10(11(13)14)15-9-8-12(5-2)6-3/h10H,4-9H2,1-3H3,(H,13,14).
What are the key properties of 2-[2-(diethylamino)ethylsulfanyl]pentanoic acid?
2-[2-(diethylamino)ethylsulfanyl]pentanoic acid has a molecular weight of 233.38 g/mol, XLogP of 2.31, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethylsulfanyl]pentanoic acid is sourced from PubChem (CID 83038190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).