4-(1,3-dioxoisoindol-2-yl)-N-prop-2-enylpiperidine-1-sulfonamide

C16H19N3O4S — CID 69136270

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-prop-2-enylpiperidine-1-sulfonamide
SMILESC=CCNS(=O)(=O)N1CCC(N2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C16H19N3O4S/c1-2-9-17-24(22,23)18-10-7-12(8-11-18)19-15(20)13-5-3-4-6-14(13)16(19)21/h2-6,12,17H,1,7-11H2
InChIKeyKUMFVNHEDQQAMZ-UHFFFAOYSA-N
MW349.41 g/mol
LogP0.77
Rot. Bonds5

About 4-(1,3-dioxoisoindol-2-yl)-N-prop-2-enylpiperidine-1-sulfonamide

4-(1,3-dioxoisoindol-2-yl)-N-prop-2-enylpiperidine-1-sulfonamide (PubChem CID 69136270) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)-N-prop-2-enylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-prop-2-enylpiperidine-1-sulfonamide
PubChem CID69136270
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-prop-2-enylpiperidine-1-sulfonamide
SMILESC=CCNS(=O)(=O)N1CCC(N2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C16H19N3O4S/c1-2-9-17-24(22,23)18-10-7-12(8-11-18)19-15(20)13-5-3-4-6-14(13)16(19)21/h2-6,12,17H,1,7-11H2
InChIKeyKUMFVNHEDQQAMZ-UHFFFAOYSA-N
XLogP0.77
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-prop-2-enylpiperidine-1-sulfonamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-prop-2-enylpiperidine-1-sulfonamide (CID 69136270) is 4-(1,3-dioxoisoindol-2-yl)-N-prop-2-enylpiperidine-1-sulfonamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-prop-2-enylpiperidine-1-sulfonamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-prop-2-enylpiperidine-1-sulfonamide is C=CCNS(=O)(=O)N1CCC(N2C(=O)c3ccccc3C2=O)CC1.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-prop-2-enylpiperidine-1-sulfonamide?
The InChIKey is KUMFVNHEDQQAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-2-9-17-24(22,23)18-10-7-12(8-11-18)19-15(20)13-5-3-4-6-14(13)16(19)21/h2-6,12,17H,1,7-11H2.
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-prop-2-enylpiperidine-1-sulfonamide?
4-(1,3-dioxoisoindol-2-yl)-N-prop-2-enylpiperidine-1-sulfonamide has a molecular weight of 349.41 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxoisoindol-2-yl)-N-prop-2-enylpiperidine-1-sulfonamide is sourced from PubChem (CID 69136270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).