1-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonyl]piperidine-4-carboxamide

C16H19N3O5S — CID 110678594

IUPAC1-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(S(=O)(=O)CCN2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C16H19N3O5S/c17-14(20)11-5-7-18(8-6-11)25(23,24)10-9-19-15(21)12-3-1-2-4-13(12)16(19)22/h1-4,11H,5-10H2,(H2,17,20)
InChIKeyHKQDNQKOTBYYQJ-UHFFFAOYSA-N
MW365.41 g/mol
LogP-0.19
Rot. Bonds5

About 1-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonyl]piperidine-4-carboxamide

1-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonyl]piperidine-4-carboxamide (PubChem CID 110678594) has the molecular formula C16H19N3O5S and a molecular weight of 365.41 g/mol. Its IUPAC name is 1-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonyl]piperidine-4-carboxamide
PubChem CID110678594
Molecular FormulaC16H19N3O5S
Molecular Weight365.41 g/mol
Exact Mass365.10
IUPAC Name1-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(S(=O)(=O)CCN2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C16H19N3O5S/c17-14(20)11-5-7-18(8-6-11)25(23,24)10-9-19-15(21)12-3-1-2-4-13(12)16(19)22/h1-4,11H,5-10H2,(H2,17,20)
InChIKeyHKQDNQKOTBYYQJ-UHFFFAOYSA-N
XLogP-0.19
TPSA117.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 5-0.19
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-(2-pyrrolidin-1-ylsulfonylethyl)isoindole-1,3-dione
CID 17422099
2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]sulfonylethyl]isoindole-1,3-dione
CID 110346889
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperidine-4-carboxamide
CID 39903901
[1-[14-(1,3-dioxoisoindol-2-yl)tetradecylsulfonyl]piperidin-4-yl] carbamate
CID 175533409
2-[2-(3-methylpiperidin-1-yl)sulfonylethyl]isoindole-1,3-dione
CID 16811271
1-propylsulfonylpiperidine-4-carboxamide
CID 6473107
2-[2-[(4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]ethyl]isoindole-1,3-dione
CID 110424774
2-[3-[3-(1-aminoethyl)piperidin-1-yl]sulfonylpropyl]isoindole-1,3-dione
CID 120710927
2-[3-[3-(1-aminoethyl)piperidin-1-yl]sulfonylpropyl]isoindole-1,3-dione;hydrochloride
CID 120710926
2-[2-[(2-methyl-1,3-oxazolidin-3-yl)sulfonyl]ethyl]isoindole-1,3-dione
CID 110740221
2-[3-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)propyl]isoindole-1,3-dione;hydrochloride
CID 120711835
1-[2-(benzenesulfonyl)ethyl]piperidine-4-carboxamide
CID 2821924

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonyl]piperidine-4-carboxamide (CID 110678594) is 1-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonyl]piperidine-4-carboxamide is NC(=O)C1CCN(S(=O)(=O)CCN2C(=O)c3ccccc3C2=O)CC1.
What is the InChIKey of 1-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonyl]piperidine-4-carboxamide?
The InChIKey is HKQDNQKOTBYYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5S/c17-14(20)11-5-7-18(8-6-11)25(23,24)10-9-19-15(21)12-3-1-2-4-13(12)16(19)22/h1-4,11H,5-10H2,(H2,17,20).
What are the key properties of 1-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonyl]piperidine-4-carboxamide?
1-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonyl]piperidine-4-carboxamide has a molecular weight of 365.41 g/mol, XLogP of -0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonyl]piperidine-4-carboxamide is sourced from PubChem (CID 110678594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).