3-(cyclohexa-1,5-dien-1-ylsulfonylamino)-N-(2,6-dioxopiperidin-3-yl)propanamide

C14H19N3O5S — CID 130441875

IUPAC3-(cyclohexa-1,5-dien-1-ylsulfonylamino)-N-(2,6-dioxopiperidin-3-yl)propanamide
SMILESO=C1CCC(NC(=O)CCNS(=O)(=O)C2=CCCC=C2)C(=O)N1
InChIInChI=1S/C14H19N3O5S/c18-12-7-6-11(14(20)17-12)16-13(19)8-9-15-23(21,22)10-4-2-1-3-5-10/h2,4-5,11,15H,1,3,6-9H2,(H,16,19)(H,17,18,20)
InChIKeyGKDKJOLRDSLTOU-UHFFFAOYSA-N
MW341.39 g/mol
LogP-0.55
Rot. Bonds6

About 3-(cyclohexa-1,5-dien-1-ylsulfonylamino)-N-(2,6-dioxopiperidin-3-yl)propanamide

3-(cyclohexa-1,5-dien-1-ylsulfonylamino)-N-(2,6-dioxopiperidin-3-yl)propanamide (PubChem CID 130441875) has the molecular formula C14H19N3O5S and a molecular weight of 341.39 g/mol. Its IUPAC name is 3-(cyclohexa-1,5-dien-1-ylsulfonylamino)-N-(2,6-dioxopiperidin-3-yl)propanamide.

Molecular Properties

Compound Name3-(cyclohexa-1,5-dien-1-ylsulfonylamino)-N-(2,6-dioxopiperidin-3-yl)propanamide
PubChem CID130441875
Molecular FormulaC14H19N3O5S
Molecular Weight341.39 g/mol
Exact Mass341.10
IUPAC Name3-(cyclohexa-1,5-dien-1-ylsulfonylamino)-N-(2,6-dioxopiperidin-3-yl)propanamide
SMILESO=C1CCC(NC(=O)CCNS(=O)(=O)C2=CCCC=C2)C(=O)N1
InChIInChI=1S/C14H19N3O5S/c18-12-7-6-11(14(20)17-12)16-13(19)8-9-15-23(21,22)10-4-2-1-3-5-10/h2,4-5,11,15H,1,3,6-9H2,(H,16,19)(H,17,18,20)
InChIKeyGKDKJOLRDSLTOU-UHFFFAOYSA-N
XLogP-0.55
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dioxopiperidin-3-yl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 163850796
N-(2,6-dioxopiperidin-3-yl)-3-[[(2E,4Z)-hexa-2,4-dien-3-yl]sulfonylamino]propanamide
CID 170009871
2-(4-chlorophenyl)-N-[(3S)-2,6-dioxopiperidin-3-yl]acetamide
CID 110186635
N-(2,6-dioxopiperidin-3-yl)-3-(4-hydroxyphenyl)propanamide
CID 110483854
N-(2,6-dioxopiperidin-3-yl)-4-(4-methylphenyl)sulfonylbutanamide
CID 154810812
N-(2,6-dioxopiperidin-3-yl)but-3-enamide
CID 65439330
N-(2,6-dioxopiperidin-3-yl)-3-oxo-3-phenylpropanamide
CID 110463382
3-(benzenesulfonamido)-N-(4-methylidene-2-oxocyclohexyl)propanamide
CID 159898736
N-[(3R)-2,6-dioxopiperidin-3-yl]-2-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 154591725
N-[(3S)-2,6-dioxopiperidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 95988791
butane;N-(2,6-dioxopiperidin-3-yl)cyclohexa-1,5-diene-1-carboxamide;ethane;methane;tungsten
CID 166077680
2-(2-acetamido-4-cyclopropylthiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 167431042

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexa-1,5-dien-1-ylsulfonylamino)-N-(2,6-dioxopiperidin-3-yl)propanamide?
The IUPAC name of 3-(cyclohexa-1,5-dien-1-ylsulfonylamino)-N-(2,6-dioxopiperidin-3-yl)propanamide (CID 130441875) is 3-(cyclohexa-1,5-dien-1-ylsulfonylamino)-N-(2,6-dioxopiperidin-3-yl)propanamide.
What is the SMILES notation for 3-(cyclohexa-1,5-dien-1-ylsulfonylamino)-N-(2,6-dioxopiperidin-3-yl)propanamide?
The canonical SMILES for 3-(cyclohexa-1,5-dien-1-ylsulfonylamino)-N-(2,6-dioxopiperidin-3-yl)propanamide is O=C1CCC(NC(=O)CCNS(=O)(=O)C2=CCCC=C2)C(=O)N1.
What is the InChIKey of 3-(cyclohexa-1,5-dien-1-ylsulfonylamino)-N-(2,6-dioxopiperidin-3-yl)propanamide?
The InChIKey is GKDKJOLRDSLTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O5S/c18-12-7-6-11(14(20)17-12)16-13(19)8-9-15-23(21,22)10-4-2-1-3-5-10/h2,4-5,11,15H,1,3,6-9H2,(H,16,19)(H,17,18,20).
What are the key properties of 3-(cyclohexa-1,5-dien-1-ylsulfonylamino)-N-(2,6-dioxopiperidin-3-yl)propanamide?
3-(cyclohexa-1,5-dien-1-ylsulfonylamino)-N-(2,6-dioxopiperidin-3-yl)propanamide has a molecular weight of 341.39 g/mol, XLogP of -0.55, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexa-1,5-dien-1-ylsulfonylamino)-N-(2,6-dioxopiperidin-3-yl)propanamide is sourced from PubChem (CID 130441875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).