methyl 2-[ethyl(3-ethylsulfanylpropyl)amino]acetate

C10H21NO2S — CID 115665504

IUPACmethyl 2-[ethyl(3-ethylsulfanylpropyl)amino]acetate
SMILESCCSCCCN(CC)CC(=O)OC
InChIInChI=1S/C10H21NO2S/c1-4-11(9-10(12)13-3)7-6-8-14-5-2/h4-9H2,1-3H3
InChIKeyUAEYXDVTBYZEEK-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.62
Rot. Bonds8

About methyl 2-[ethyl(3-ethylsulfanylpropyl)amino]acetate

methyl 2-[ethyl(3-ethylsulfanylpropyl)amino]acetate (PubChem CID 115665504) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is methyl 2-[ethyl(3-ethylsulfanylpropyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[ethyl(3-ethylsulfanylpropyl)amino]acetate
PubChem CID115665504
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Namemethyl 2-[ethyl(3-ethylsulfanylpropyl)amino]acetate
SMILESCCSCCCN(CC)CC(=O)OC
InChIInChI=1S/C10H21NO2S/c1-4-11(9-10(12)13-3)7-6-8-14-5-2/h4-9H2,1-3H3
InChIKeyUAEYXDVTBYZEEK-UHFFFAOYSA-N
XLogP1.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[bis[2-(diethylamino)ethyl]amino]acetate
CID 142240195
methyl 2-[[4-(dimethylamino)-4-oxobutyl]-ethylamino]acetate
CID 62012741
methyl 2-[2-[2-aminoethyl-(2-methoxy-2-oxoethyl)amino]ethyl-ethylamino]acetate
CID 155041284
2-[ethyl(3-ethylsulfanylpropyl)amino]-N'-hydroxyethanimidamide
CID 104863487
methyl 2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]ethyl-butylamino]acetate
CID 58850907
N,N-diethyl-5-ethylsulfanylpentan-1-amine
CID 154243338
2-[2-(dimethylamino)ethyl-(3-ethylsulfanylpropyl)amino]acetic acid
CID 107425399
methyl 2-[hydroxymethyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 90025602
methyl 2-[5-aminopentyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 63383203
methyl 2-[5-hydroxypentyl(propyl)amino]acetate
CID 55210802
methyl 2-[2-chloroethyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 139666753
methyl 3-[ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate
CID 62028503

Frequently Asked Questions

What is the IUPAC name of methyl 2-[ethyl(3-ethylsulfanylpropyl)amino]acetate?
The IUPAC name of methyl 2-[ethyl(3-ethylsulfanylpropyl)amino]acetate (CID 115665504) is methyl 2-[ethyl(3-ethylsulfanylpropyl)amino]acetate.
What is the SMILES notation for methyl 2-[ethyl(3-ethylsulfanylpropyl)amino]acetate?
The canonical SMILES for methyl 2-[ethyl(3-ethylsulfanylpropyl)amino]acetate is CCSCCCN(CC)CC(=O)OC.
What is the InChIKey of methyl 2-[ethyl(3-ethylsulfanylpropyl)amino]acetate?
The InChIKey is UAEYXDVTBYZEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-4-11(9-10(12)13-3)7-6-8-14-5-2/h4-9H2,1-3H3.
What are the key properties of methyl 2-[ethyl(3-ethylsulfanylpropyl)amino]acetate?
methyl 2-[ethyl(3-ethylsulfanylpropyl)amino]acetate has a molecular weight of 219.35 g/mol, XLogP of 1.62, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[ethyl(3-ethylsulfanylpropyl)amino]acetate is sourced from PubChem (CID 115665504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).