[2-(cyclopropylamino)-2-oxoethyl] 2-ethylsulfanylbenzoate

C14H17NO3S — CID 8658293

IUPAC[2-(cyclopropylamino)-2-oxoethyl] 2-ethylsulfanylbenzoate
SMILESCCSc1ccccc1C(=O)OCC(=O)NC1CC1
InChIInChI=1S/C14H17NO3S/c1-2-19-12-6-4-3-5-11(12)14(17)18-9-13(16)15-10-7-8-10/h3-6,10H,2,7-9H2,1H3,(H,15,16)
InChIKeyXEBZZLSVFKEGII-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.23
Rot. Bonds6

About [2-(cyclopropylamino)-2-oxoethyl] 2-ethylsulfanylbenzoate

[2-(cyclopropylamino)-2-oxoethyl] 2-ethylsulfanylbenzoate (PubChem CID 8658293) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] 2-ethylsulfanylbenzoate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] 2-ethylsulfanylbenzoate
PubChem CID8658293
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] 2-ethylsulfanylbenzoate
SMILESCCSc1ccccc1C(=O)OCC(=O)NC1CC1
InChIInChI=1S/C14H17NO3S/c1-2-19-12-6-4-3-5-11(12)14(17)18-9-13(16)15-10-7-8-10/h3-6,10H,2,7-9H2,1H3,(H,15,16)
InChIKeyXEBZZLSVFKEGII-UHFFFAOYSA-N
XLogP2.23
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-methylsulfanylbenzoate
CID 16543862
[2-(cyclopropylamino)-2-oxoethyl] 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzoate
CID 29174702
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-ethylsulfanylbenzoate
CID 8658568
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-ethylsulfanylbenzoate
CID 8658606
[2-(cyclopentylamino)-2-oxoethyl] 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate
CID 7209185
[2-(cyclopropylamino)-2-oxoethyl] 2-methoxybenzoate
CID 2715031
[2-(2-methylsulfanylanilino)-2-oxoethyl] 2-ethylsulfanylbenzoate
CID 8658386
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-ethylsulfanylbenzoate
CID 8722117
[2-(cyclopropylamino)-2-oxoethyl] 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylbenzoate
CID 8665412
[2-(cyclopropylamino)-2-oxoethyl] 2-methylsulfonylbenzoate
CID 7725286
[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl] 2-[2-(cyclopropylamino)-2-oxoethyl]sulfanylbenzoate
CID 24669642
[2-(cyclopentylamino)-2-oxoethyl] 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate
CID 18155172

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-ethylsulfanylbenzoate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-ethylsulfanylbenzoate (CID 8658293) is [2-(cyclopropylamino)-2-oxoethyl] 2-ethylsulfanylbenzoate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] 2-ethylsulfanylbenzoate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] 2-ethylsulfanylbenzoate is CCSc1ccccc1C(=O)OCC(=O)NC1CC1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] 2-ethylsulfanylbenzoate?
The InChIKey is XEBZZLSVFKEGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-2-19-12-6-4-3-5-11(12)14(17)18-9-13(16)15-10-7-8-10/h3-6,10H,2,7-9H2,1H3,(H,15,16).
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] 2-ethylsulfanylbenzoate?
[2-(cyclopropylamino)-2-oxoethyl] 2-ethylsulfanylbenzoate has a molecular weight of 279.36 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl] 2-ethylsulfanylbenzoate is sourced from PubChem (CID 8658293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).