2-(1,3-dioxoisoindol-2-yl)-N-(2-oxo-2-piperidin-1-ylethyl)ethanesulfonamide

C17H21N3O5S — CID 110312688

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(2-oxo-2-piperidin-1-ylethyl)ethanesulfonamide
SMILESO=C(CNS(=O)(=O)CCN1C(=O)c2ccccc2C1=O)N1CCCCC1
InChIInChI=1S/C17H21N3O5S/c21-15(19-8-4-1-5-9-19)12-18-26(24,25)11-10-20-16(22)13-6-2-3-7-14(13)17(20)23/h2-3,6-7,18H,1,4-5,8-12H2
InChIKeyFVLCIEGLJVDESJ-UHFFFAOYSA-N
MW379.44 g/mol
LogP0.21
Rot. Bonds6

About 2-(1,3-dioxoisoindol-2-yl)-N-(2-oxo-2-piperidin-1-ylethyl)ethanesulfonamide

2-(1,3-dioxoisoindol-2-yl)-N-(2-oxo-2-piperidin-1-ylethyl)ethanesulfonamide (PubChem CID 110312688) has the molecular formula C17H21N3O5S and a molecular weight of 379.44 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(2-oxo-2-piperidin-1-ylethyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(2-oxo-2-piperidin-1-ylethyl)ethanesulfonamide
PubChem CID110312688
Molecular FormulaC17H21N3O5S
Molecular Weight379.44 g/mol
Exact Mass379.12
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(2-oxo-2-piperidin-1-ylethyl)ethanesulfonamide
SMILESO=C(CNS(=O)(=O)CCN1C(=O)c2ccccc2C1=O)N1CCCCC1
InChIInChI=1S/C17H21N3O5S/c21-15(19-8-4-1-5-9-19)12-18-26(24,25)11-10-20-16(22)13-6-2-3-7-14(13)17(20)23/h2-3,6-7,18H,1,4-5,8-12H2
InChIKeyFVLCIEGLJVDESJ-UHFFFAOYSA-N
XLogP0.21
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(4-oxo-4-piperidin-1-ylbutyl)isoindole-1,3-dione
CID 802386
2-(1,3-dioxoisoindol-2-yl)-N-(2-hydroxy-2-methylpropyl)ethanesulfonamide
CID 110287773
N-cyclohexyl-2-(1,3-dioxoisoindol-2-yl)ethanesulfonamide
CID 23005465
2-(2-pyrrolidin-1-ylsulfonylethyl)isoindole-1,3-dione
CID 17422099
2-(1,3-dioxoisoindol-2-yl)ethanesulfonohydrazide
CID 83813899
2-(1,3-dioxoisoindol-2-yl)-N-[2-(1,3-dioxolan-2-yl)ethyl]ethanesulfonamide
CID 110398464
1-ethyl-2-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzo[cd]indole-6-sulfonamide
CID 118200169
(2S)-N-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonyl]-2-methylbutanamide
CID 94189662
(2-oxo-2-piperidin-1-ylethyl) 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 55317694
4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]butanamide
CID 110407023
3-methylidene-2-(2-oxo-2-pyrrolidin-1-ylethyl)isoindol-1-one
CID 47132389
methyl 4-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-1,4-diazepane-1-carboxylate
CID 110798783

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(2-oxo-2-piperidin-1-ylethyl)ethanesulfonamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(2-oxo-2-piperidin-1-ylethyl)ethanesulfonamide (CID 110312688) is 2-(1,3-dioxoisoindol-2-yl)-N-(2-oxo-2-piperidin-1-ylethyl)ethanesulfonamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(2-oxo-2-piperidin-1-ylethyl)ethanesulfonamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(2-oxo-2-piperidin-1-ylethyl)ethanesulfonamide is O=C(CNS(=O)(=O)CCN1C(=O)c2ccccc2C1=O)N1CCCCC1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(2-oxo-2-piperidin-1-ylethyl)ethanesulfonamide?
The InChIKey is FVLCIEGLJVDESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5S/c21-15(19-8-4-1-5-9-19)12-18-26(24,25)11-10-20-16(22)13-6-2-3-7-14(13)17(20)23/h2-3,6-7,18H,1,4-5,8-12H2.
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(2-oxo-2-piperidin-1-ylethyl)ethanesulfonamide?
2-(1,3-dioxoisoindol-2-yl)-N-(2-oxo-2-piperidin-1-ylethyl)ethanesulfonamide has a molecular weight of 379.44 g/mol, XLogP of 0.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-(2-oxo-2-piperidin-1-ylethyl)ethanesulfonamide is sourced from PubChem (CID 110312688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).