[2-(ethylamino)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate

C16H22N2O5S — CID 2511017

IUPAC[2-(ethylamino)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate
SMILESCCNC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C16H22N2O5S/c1-2-17-15(19)12-23-16(20)13-7-6-8-14(11-13)24(21,22)18-9-4-3-5-10-18/h6-8,11H,2-5,9-10,12H2,1H3,(H,17,19)
InChIKeyRGDNBDAEOBLSTG-UHFFFAOYSA-N
MW354.43 g/mol
LogP1.15
Rot. Bonds6

About [2-(ethylamino)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate

[2-(ethylamino)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate (PubChem CID 2511017) has the molecular formula C16H22N2O5S and a molecular weight of 354.43 g/mol. Its IUPAC name is [2-(ethylamino)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate.

Molecular Properties

Compound Name[2-(ethylamino)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate
PubChem CID2511017
Molecular FormulaC16H22N2O5S
Molecular Weight354.43 g/mol
Exact Mass354.12
IUPAC Name[2-(ethylamino)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate
SMILESCCNC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C16H22N2O5S/c1-2-17-15(19)12-23-16(20)13-7-6-8-14(11-13)24(21,22)18-9-4-3-5-10-18/h6-8,11H,2-5,9-10,12H2,1H3,(H,17,19)
InChIKeyRGDNBDAEOBLSTG-UHFFFAOYSA-N
XLogP1.15
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(propylamino)ethyl] 3-(azepan-1-ylsulfonyl)benzoate
CID 2545037
[2-oxo-2-(pentylamino)ethyl] 3-piperidin-1-ylsulfonylbenzoate
CID 9081458
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate
CID 9081447
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-(azepan-1-ylsulfonyl)benzoate
CID 2545042
[2-(cyclopropylamino)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate
CID 2511239
(2-anilino-2-oxoethyl) 3-(azepan-1-ylsulfonyl)benzoate
CID 2545206
[2-(2-ethylanilino)-2-oxoethyl] 3-pyrrolidin-1-ylsulfonylbenzoate
CID 7981318
[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 3-(azepan-1-ylsulfonyl)benzoate
CID 4782972
[2-(4-methylanilino)-2-oxoethyl] 3-pyrrolidin-1-ylsulfonylbenzoate
CID 2509221
[2-(4-ethylphenyl)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate
CID 2510979
[2-(ethylamino)-2-oxoethyl] 3-methylsulfonylbenzoate
CID 2528487
[2-oxo-2-(propylamino)ethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 7699376

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate?
The IUPAC name of [2-(ethylamino)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate (CID 2511017) is [2-(ethylamino)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate.
What is the SMILES notation for [2-(ethylamino)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate?
The canonical SMILES for [2-(ethylamino)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate is CCNC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of [2-(ethylamino)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate?
The InChIKey is RGDNBDAEOBLSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5S/c1-2-17-15(19)12-23-16(20)13-7-6-8-14(11-13)24(21,22)18-9-4-3-5-10-18/h6-8,11H,2-5,9-10,12H2,1H3,(H,17,19).
What are the key properties of [2-(ethylamino)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate?
[2-(ethylamino)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate has a molecular weight of 354.43 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate is sourced from PubChem (CID 2511017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).