ethyl 2-cyclopropyl-2-(propylamino)-3-thiophen-2-ylsulfanylpropanoate

C15H23NO2S2 — CID 63915902

IUPACethyl 2-cyclopropyl-2-(propylamino)-3-thiophen-2-ylsulfanylpropanoate
SMILESCCCNC(CSc1cccs1)(C(=O)OCC)C1CC1
InChIInChI=1S/C15H23NO2S2/c1-3-9-16-15(12-7-8-12,14(17)18-4-2)11-20-13-6-5-10-19-13/h5-6,10,12,16H,3-4,7-9,11H2,1-2H3
InChIKeyPBLZTQMYOHFXRY-UHFFFAOYSA-N
MW313.49 g/mol
LogP3.55
Rot. Bonds9

About ethyl 2-cyclopropyl-2-(propylamino)-3-thiophen-2-ylsulfanylpropanoate

ethyl 2-cyclopropyl-2-(propylamino)-3-thiophen-2-ylsulfanylpropanoate (PubChem CID 63915902) has the molecular formula C15H23NO2S2 and a molecular weight of 313.49 g/mol. Its IUPAC name is ethyl 2-cyclopropyl-2-(propylamino)-3-thiophen-2-ylsulfanylpropanoate.

Molecular Properties

Compound Nameethyl 2-cyclopropyl-2-(propylamino)-3-thiophen-2-ylsulfanylpropanoate
PubChem CID63915902
Molecular FormulaC15H23NO2S2
Molecular Weight313.49 g/mol
Exact Mass313.12
IUPAC Nameethyl 2-cyclopropyl-2-(propylamino)-3-thiophen-2-ylsulfanylpropanoate
SMILESCCCNC(CSc1cccs1)(C(=O)OCC)C1CC1
InChIInChI=1S/C15H23NO2S2/c1-3-9-16-15(12-7-8-12,14(17)18-4-2)11-20-13-6-5-10-19-13/h5-6,10,12,16H,3-4,7-9,11H2,1-2H3
InChIKeyPBLZTQMYOHFXRY-UHFFFAOYSA-N
XLogP3.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-cyclopropyl-3-propan-2-ylsulfanyl-2-(propylamino)propanoate
CID 63921616
ethyl 2-cyclopropyl-3-(3-methylbutan-2-ylsulfanyl)-2-(propylamino)propanoate
CID 107755679
ethyl 2-cyclopropyl-2-(ethylamino)-3-(3-methylphenyl)sulfanylpropanoate
CID 63921422
ethyl 2-(propylamino)-4-thiophen-2-ylsulfanylbutanoate
CID 63034297
methyl 2-cyclopropyl-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-(propylamino)propanoate
CID 63921650
ethyl 2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propylamino)propanoate
CID 63919160
ethyl 2-cyclopropyl-2-(propan-2-ylamino)-3-pyrimidin-2-ylsulfanylpropanoate
CID 63915936
ethyl 2-cyclopropyl-2-(ethylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropanoate
CID 63919464
ethyl 2-cyclopropyl-3-[2,2-dimethylpropyl(methyl)amino]-2-(propylamino)propanoate
CID 63911759
2-cyclopropyl-3-(2-methylfuran-3-yl)sulfanyl-2-(propylamino)propanamide
CID 107782042
ethyl 3-cyclohexylsulfanyl-2-cyclopropyl-2-(ethylamino)propanoate
CID 63920437
ethyl 2-cyclopropyl-2-(ethylamino)-3-(1H-1,2,4-triazol-5-ylsulfanyl)propanoate
CID 63916704

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclopropyl-2-(propylamino)-3-thiophen-2-ylsulfanylpropanoate?
The IUPAC name of ethyl 2-cyclopropyl-2-(propylamino)-3-thiophen-2-ylsulfanylpropanoate (CID 63915902) is ethyl 2-cyclopropyl-2-(propylamino)-3-thiophen-2-ylsulfanylpropanoate.
What is the SMILES notation for ethyl 2-cyclopropyl-2-(propylamino)-3-thiophen-2-ylsulfanylpropanoate?
The canonical SMILES for ethyl 2-cyclopropyl-2-(propylamino)-3-thiophen-2-ylsulfanylpropanoate is CCCNC(CSc1cccs1)(C(=O)OCC)C1CC1.
What is the InChIKey of ethyl 2-cyclopropyl-2-(propylamino)-3-thiophen-2-ylsulfanylpropanoate?
The InChIKey is PBLZTQMYOHFXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S2/c1-3-9-16-15(12-7-8-12,14(17)18-4-2)11-20-13-6-5-10-19-13/h5-6,10,12,16H,3-4,7-9,11H2,1-2H3.
What are the key properties of ethyl 2-cyclopropyl-2-(propylamino)-3-thiophen-2-ylsulfanylpropanoate?
ethyl 2-cyclopropyl-2-(propylamino)-3-thiophen-2-ylsulfanylpropanoate has a molecular weight of 313.49 g/mol, XLogP of 3.55, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclopropyl-2-(propylamino)-3-thiophen-2-ylsulfanylpropanoate is sourced from PubChem (CID 63915902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).