ethyl 2-[methyl(1-methylsulfanylbutan-2-yl)amino]pentanoate

C13H27NO2S — CID 112661499

IUPACethyl 2-[methyl(1-methylsulfanylbutan-2-yl)amino]pentanoate
SMILESCCCC(C(=O)OCC)N(C)C(CC)CSC
InChIInChI=1S/C13H27NO2S/c1-6-9-12(13(15)16-8-3)14(4)11(7-2)10-17-5/h11-12H,6-10H2,1-5H3
InChIKeyZSLZGQBGYMUUSP-UHFFFAOYSA-N
MW261.43 g/mol
LogP2.79
Rot. Bonds9

About ethyl 2-[methyl(1-methylsulfanylbutan-2-yl)amino]pentanoate

ethyl 2-[methyl(1-methylsulfanylbutan-2-yl)amino]pentanoate (PubChem CID 112661499) has the molecular formula C13H27NO2S and a molecular weight of 261.43 g/mol. Its IUPAC name is ethyl 2-[methyl(1-methylsulfanylbutan-2-yl)amino]pentanoate.

Molecular Properties

Compound Nameethyl 2-[methyl(1-methylsulfanylbutan-2-yl)amino]pentanoate
PubChem CID112661499
Molecular FormulaC13H27NO2S
Molecular Weight261.43 g/mol
Exact Mass261.18
IUPAC Nameethyl 2-[methyl(1-methylsulfanylbutan-2-yl)amino]pentanoate
SMILESCCCC(C(=O)OCC)N(C)C(CC)CSC
InChIInChI=1S/C13H27NO2S/c1-6-9-12(13(15)16-8-3)14(4)11(7-2)10-17-5/h11-12H,6-10H2,1-5H3
InChIKeyZSLZGQBGYMUUSP-UHFFFAOYSA-N
XLogP2.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[methyl(1-methylsulfanylbutan-2-yl)amino]pentanoate 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

Valeric acid, 2-propylthio-, O-ester with 2-(diethylamino)ethanol, hydrochloride
CID 3052724
N-dimethyl-l-methionine methyl ester
CID 91978444
2-(Diethylamino)ethyl 2-propylsulfanylpentanoate
CID 3052725
2-Piperidin-1-ylethyl 2-propylsulfanylpentanoate
CID 3052727
Ethyl 2-(dimethylamino)-4-methylsulfanylbutanoate
CID 239835
Ethyl 2-[methyl(propyl)amino]pentanoate
CID 21021839
methyl (2S)-2-[butanoyl(methyl)amino]-4-methylsulfanylbutanoate
CID 54150325
Ethyl 2-(diethylamino)pentanoate
CID 79047116
pentyl (2S)-2-(methylamino)-4-methylsulfanylbutanoate
CID 142433111
[(2S)-1-ethoxy-4-methylsulfanyl-1-oxobutan-2-yl]-methylazanide
CID 58680118
Ethyl 5-methylsulfanyl-3-morpholin-4-ylpentanoate
CID 64526455
Ethyl 3-(diethylamino)-5-methylsulfanylpentanoate
CID 64539903

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl(1-methylsulfanylbutan-2-yl)amino]pentanoate?
The IUPAC name of ethyl 2-[methyl(1-methylsulfanylbutan-2-yl)amino]pentanoate (CID 112661499) is ethyl 2-[methyl(1-methylsulfanylbutan-2-yl)amino]pentanoate.
What is the SMILES notation for ethyl 2-[methyl(1-methylsulfanylbutan-2-yl)amino]pentanoate?
The canonical SMILES for ethyl 2-[methyl(1-methylsulfanylbutan-2-yl)amino]pentanoate is CCCC(C(=O)OCC)N(C)C(CC)CSC.
What is the InChIKey of ethyl 2-[methyl(1-methylsulfanylbutan-2-yl)amino]pentanoate?
The InChIKey is ZSLZGQBGYMUUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2S/c1-6-9-12(13(15)16-8-3)14(4)11(7-2)10-17-5/h11-12H,6-10H2,1-5H3.
What are the key properties of ethyl 2-[methyl(1-methylsulfanylbutan-2-yl)amino]pentanoate?
ethyl 2-[methyl(1-methylsulfanylbutan-2-yl)amino]pentanoate has a molecular weight of 261.43 g/mol, XLogP of 2.79, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl(1-methylsulfanylbutan-2-yl)amino]pentanoate is sourced from PubChem (CID 112661499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).