3-(1,3-dioxoisoindol-2-yl)-N,N-dimethylpropane-1-sulfonamide

C13H16N2O4S — CID 19261658

IUPAC3-(1,3-dioxoisoindol-2-yl)-N,N-dimethylpropane-1-sulfonamide
SMILESCN(C)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C13H16N2O4S/c1-14(2)20(18,19)9-5-8-15-12(16)10-6-3-4-7-11(10)13(15)17/h3-4,6-7H,5,8-9H2,1-2H3
InChIKeyISKYZRBROBBVPM-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.56
Rot. Bonds5

About 3-(1,3-dioxoisoindol-2-yl)-N,N-dimethylpropane-1-sulfonamide

3-(1,3-dioxoisoindol-2-yl)-N,N-dimethylpropane-1-sulfonamide (PubChem CID 19261658) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N,N-dimethylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N,N-dimethylpropane-1-sulfonamide
PubChem CID19261658
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N,N-dimethylpropane-1-sulfonamide
SMILESCN(C)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C13H16N2O4S/c1-14(2)20(18,19)9-5-8-15-12(16)10-6-3-4-7-11(10)13(15)17/h3-4,6-7H,5,8-9H2,1-2H3
InChIKeyISKYZRBROBBVPM-UHFFFAOYSA-N
XLogP0.56
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N,N-dimethylpropane-1-sulfonamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N,N-dimethylpropane-1-sulfonamide (CID 19261658) is 3-(1,3-dioxoisoindol-2-yl)-N,N-dimethylpropane-1-sulfonamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N,N-dimethylpropane-1-sulfonamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N,N-dimethylpropane-1-sulfonamide is CN(C)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N,N-dimethylpropane-1-sulfonamide?
The InChIKey is ISKYZRBROBBVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c1-14(2)20(18,19)9-5-8-15-12(16)10-6-3-4-7-11(10)13(15)17/h3-4,6-7H,5,8-9H2,1-2H3.
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N,N-dimethylpropane-1-sulfonamide?
3-(1,3-dioxoisoindol-2-yl)-N,N-dimethylpropane-1-sulfonamide has a molecular weight of 296.35 g/mol, XLogP of 0.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-N,N-dimethylpropane-1-sulfonamide is sourced from PubChem (CID 19261658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).