ethyl 2-(ethylamino)-4-propan-2-ylsulfanylbutanoate

C11H23NO2S — CID 63033263

IUPACethyl 2-(ethylamino)-4-propan-2-ylsulfanylbutanoate
SMILESCCNC(CCSC(C)C)C(=O)OCC
InChIInChI=1S/C11H23NO2S/c1-5-12-10(11(13)14-6-2)7-8-15-9(3)4/h9-10,12H,5-8H2,1-4H3
InChIKeyKWJYBBJJGDDPQW-UHFFFAOYSA-N
MW233.38 g/mol
LogP2.06
Rot. Bonds8

About ethyl 2-(ethylamino)-4-propan-2-ylsulfanylbutanoate

ethyl 2-(ethylamino)-4-propan-2-ylsulfanylbutanoate (PubChem CID 63033263) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is ethyl 2-(ethylamino)-4-propan-2-ylsulfanylbutanoate.

Molecular Properties

Compound Nameethyl 2-(ethylamino)-4-propan-2-ylsulfanylbutanoate
PubChem CID63033263
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Nameethyl 2-(ethylamino)-4-propan-2-ylsulfanylbutanoate
SMILESCCNC(CCSC(C)C)C(=O)OCC
InChIInChI=1S/C11H23NO2S/c1-5-12-10(11(13)14-6-2)7-8-15-9(3)4/h9-10,12H,5-8H2,1-4H3
InChIKeyKWJYBBJJGDDPQW-UHFFFAOYSA-N
XLogP2.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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

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Related Compounds

ethyl 2-(ethylamino)-4-(3-methylbutan-2-ylsulfanyl)butanoate
CID 107755810
ethyl (2S)-2-(ethylamino)-4-ethylsulfanylbutanoate
CID 151544436
ethyl 2-(ethylamino)-4-propylsulfanylbutanoate
CID 63035701
ethyl 2-(ethylamino)-4-methoxybutanoate
CID 63041386
ethyl 4-(dimethylamino)-2-(ethylamino)butanoate
CID 63028800
methyl 4-butylsulfanyl-2-(ethylamino)butanoate
CID 63034459
ethyl 2-(ethylamino)-4-(2-propoxyethoxy)butanoate
CID 63686784
ethyl 4-butylsulfanyl-2-(propylamino)butanoate
CID 63034100
ethyl 2-(ethylamino)-4-[pentyl(propan-2-yl)amino]butanoate
CID 63054301
4-butan-2-ylsulfanyl-2-(ethylamino)butanamide
CID 63033750
ethyl 2-(ethylamino)-4-(1,3-oxazol-2-ylsulfanyl)butanoate
CID 106925058
ethyl 3-[bis(3-methylbutyl)amino]-2-(ethylamino)propanoate
CID 107870945

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(ethylamino)-4-propan-2-ylsulfanylbutanoate?
The IUPAC name of ethyl 2-(ethylamino)-4-propan-2-ylsulfanylbutanoate (CID 63033263) is ethyl 2-(ethylamino)-4-propan-2-ylsulfanylbutanoate.
What is the SMILES notation for ethyl 2-(ethylamino)-4-propan-2-ylsulfanylbutanoate?
The canonical SMILES for ethyl 2-(ethylamino)-4-propan-2-ylsulfanylbutanoate is CCNC(CCSC(C)C)C(=O)OCC.
What is the InChIKey of ethyl 2-(ethylamino)-4-propan-2-ylsulfanylbutanoate?
The InChIKey is KWJYBBJJGDDPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-5-12-10(11(13)14-6-2)7-8-15-9(3)4/h9-10,12H,5-8H2,1-4H3.
What are the key properties of ethyl 2-(ethylamino)-4-propan-2-ylsulfanylbutanoate?
ethyl 2-(ethylamino)-4-propan-2-ylsulfanylbutanoate has a molecular weight of 233.38 g/mol, XLogP of 2.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(ethylamino)-4-propan-2-ylsulfanylbutanoate is sourced from PubChem (CID 63033263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).