ethyl 2-(ethylamino)-4-propylsulfanylbutanoate

C11H23NO2S — CID 63035701

IUPACethyl 2-(ethylamino)-4-propylsulfanylbutanoate
SMILESCCCSCCC(NCC)C(=O)OCC
InChIInChI=1S/C11H23NO2S/c1-4-8-15-9-7-10(12-5-2)11(13)14-6-3/h10,12H,4-9H2,1-3H3
InChIKeyPANBVYNXUUERNA-UHFFFAOYSA-N
MW233.38 g/mol
LogP2.06
Rot. Bonds9

About ethyl 2-(ethylamino)-4-propylsulfanylbutanoate

ethyl 2-(ethylamino)-4-propylsulfanylbutanoate (PubChem CID 63035701) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is ethyl 2-(ethylamino)-4-propylsulfanylbutanoate.

Molecular Properties

Compound Nameethyl 2-(ethylamino)-4-propylsulfanylbutanoate
PubChem CID63035701
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Nameethyl 2-(ethylamino)-4-propylsulfanylbutanoate
SMILESCCCSCCC(NCC)C(=O)OCC
InChIInChI=1S/C11H23NO2S/c1-4-8-15-9-7-10(12-5-2)11(13)14-6-3/h10,12H,4-9H2,1-3H3
InChIKeyPANBVYNXUUERNA-UHFFFAOYSA-N
XLogP2.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 52.06
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 (2S)-2-(ethylamino)-4-ethylsulfanylbutanoate
CID 151544436
ethyl 2-(ethylamino)-4-propan-2-ylsulfanylbutanoate
CID 63033263
methyl 4-butylsulfanyl-2-(ethylamino)butanoate
CID 63034459
ethyl 4-butylsulfanyl-2-(propylamino)butanoate
CID 63034100
ethyl 2-(ethylamino)-4-(3-methylbutan-2-ylsulfanyl)butanoate
CID 107755810
ethyl 2-(ethylamino)-4-methoxybutanoate
CID 63041386
ethyl 4-(dimethylamino)-2-(ethylamino)butanoate
CID 63028800
ethyl 2-(ethylamino)-4-(2-propoxyethoxy)butanoate
CID 63686784
ethyl (2S)-4-[(3S)-4-ethoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutyl]sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 27282191
ethyl 2-(ethylamino)-4-(1,3-oxazol-2-ylsulfanyl)butanoate
CID 106925058
ethyl 4-(2,5-difluorophenyl)sulfanyl-2-(ethylamino)butanoate
CID 63033799
ethyl 2-(ethylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butanoate
CID 63040695

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(ethylamino)-4-propylsulfanylbutanoate?
The IUPAC name of ethyl 2-(ethylamino)-4-propylsulfanylbutanoate (CID 63035701) is ethyl 2-(ethylamino)-4-propylsulfanylbutanoate.
What is the SMILES notation for ethyl 2-(ethylamino)-4-propylsulfanylbutanoate?
The canonical SMILES for ethyl 2-(ethylamino)-4-propylsulfanylbutanoate is CCCSCCC(NCC)C(=O)OCC.
What is the InChIKey of ethyl 2-(ethylamino)-4-propylsulfanylbutanoate?
The InChIKey is PANBVYNXUUERNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-4-8-15-9-7-10(12-5-2)11(13)14-6-3/h10,12H,4-9H2,1-3H3.
What are the key properties of ethyl 2-(ethylamino)-4-propylsulfanylbutanoate?
ethyl 2-(ethylamino)-4-propylsulfanylbutanoate has a molecular weight of 233.38 g/mol, XLogP of 2.06, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(ethylamino)-4-propylsulfanylbutanoate is sourced from PubChem (CID 63035701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).