[2-(1H-indol-3-yl)-2-oxoethyl] 2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetate

C19H22N2O4S — CID 2612965

IUPAC[2-(1H-indol-3-yl)-2-oxoethyl] 2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetate
SMILESO=C(CSCC(=O)N1CCCCC1)OCC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C19H22N2O4S/c22-17(15-10-20-16-7-3-2-6-14(15)16)11-25-19(24)13-26-12-18(23)21-8-4-1-5-9-21/h2-3,6-7,10,20H,1,4-5,8-9,11-13H2
InChIKeyKKEYXYBFPQZMSH-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.64
Rot. Bonds7

About [2-(1H-indol-3-yl)-2-oxoethyl] 2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetate

[2-(1H-indol-3-yl)-2-oxoethyl] 2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetate (PubChem CID 2612965) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is [2-(1H-indol-3-yl)-2-oxoethyl] 2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetate.

Molecular Properties

Compound Name[2-(1H-indol-3-yl)-2-oxoethyl] 2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetate
PubChem CID2612965
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name[2-(1H-indol-3-yl)-2-oxoethyl] 2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetate
SMILESO=C(CSCC(=O)N1CCCCC1)OCC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C19H22N2O4S/c22-17(15-10-20-16-7-3-2-6-14(15)16)11-25-19(24)13-26-12-18(23)21-8-4-1-5-9-21/h2-3,6-7,10,20H,1,4-5,8-9,11-13H2
InChIKeyKKEYXYBFPQZMSH-UHFFFAOYSA-N
XLogP2.64
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(1H-indol-3-yl)-2-oxoethyl] 2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetate?
The IUPAC name of [2-(1H-indol-3-yl)-2-oxoethyl] 2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetate (CID 2612965) is [2-(1H-indol-3-yl)-2-oxoethyl] 2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetate.
What is the SMILES notation for [2-(1H-indol-3-yl)-2-oxoethyl] 2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetate?
The canonical SMILES for [2-(1H-indol-3-yl)-2-oxoethyl] 2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetate is O=C(CSCC(=O)N1CCCCC1)OCC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of [2-(1H-indol-3-yl)-2-oxoethyl] 2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetate?
The InChIKey is KKEYXYBFPQZMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c22-17(15-10-20-16-7-3-2-6-14(15)16)11-25-19(24)13-26-12-18(23)21-8-4-1-5-9-21/h2-3,6-7,10,20H,1,4-5,8-9,11-13H2.
What are the key properties of [2-(1H-indol-3-yl)-2-oxoethyl] 2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetate?
[2-(1H-indol-3-yl)-2-oxoethyl] 2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetate has a molecular weight of 374.46 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-indol-3-yl)-2-oxoethyl] 2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetate is sourced from PubChem (CID 2612965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).