4-amino-N-(2,6-dioxopiperidin-3-yl)-2,6-dimethylbenzenesulfonamide

C13H17N3O4S — CID 79569385

IUPAC4-amino-N-(2,6-dioxopiperidin-3-yl)-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(N)cc(C)c1S(=O)(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C13H17N3O4S/c1-7-5-9(14)6-8(2)12(7)21(19,20)16-10-3-4-11(17)15-13(10)18/h5-6,10,16H,3-4,14H2,1-2H3,(H,15,17,18)
InChIKeyUAEUJQWFYUKQDI-UHFFFAOYSA-N
MW311.36 g/mol
LogP-0.03
Rot. Bonds3

About 4-amino-N-(2,6-dioxopiperidin-3-yl)-2,6-dimethylbenzenesulfonamide

4-amino-N-(2,6-dioxopiperidin-3-yl)-2,6-dimethylbenzenesulfonamide (PubChem CID 79569385) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is 4-amino-N-(2,6-dioxopiperidin-3-yl)-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(2,6-dioxopiperidin-3-yl)-2,6-dimethylbenzenesulfonamide
PubChem CID79569385
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC Name4-amino-N-(2,6-dioxopiperidin-3-yl)-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(N)cc(C)c1S(=O)(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C13H17N3O4S/c1-7-5-9(14)6-8(2)12(7)21(19,20)16-10-3-4-11(17)15-13(10)18/h5-6,10,16H,3-4,14H2,1-2H3,(H,15,17,18)
InChIKeyUAEUJQWFYUKQDI-UHFFFAOYSA-N
XLogP-0.03
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,6-dioxopiperidin-3-yl)-2,6-dimethylbenzenesulfonamide?
The IUPAC name of 4-amino-N-(2,6-dioxopiperidin-3-yl)-2,6-dimethylbenzenesulfonamide (CID 79569385) is 4-amino-N-(2,6-dioxopiperidin-3-yl)-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(2,6-dioxopiperidin-3-yl)-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-(2,6-dioxopiperidin-3-yl)-2,6-dimethylbenzenesulfonamide is Cc1cc(N)cc(C)c1S(=O)(=O)NC1CCC(=O)NC1=O.
What is the InChIKey of 4-amino-N-(2,6-dioxopiperidin-3-yl)-2,6-dimethylbenzenesulfonamide?
The InChIKey is UAEUJQWFYUKQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S/c1-7-5-9(14)6-8(2)12(7)21(19,20)16-10-3-4-11(17)15-13(10)18/h5-6,10,16H,3-4,14H2,1-2H3,(H,15,17,18).
What are the key properties of 4-amino-N-(2,6-dioxopiperidin-3-yl)-2,6-dimethylbenzenesulfonamide?
4-amino-N-(2,6-dioxopiperidin-3-yl)-2,6-dimethylbenzenesulfonamide has a molecular weight of 311.36 g/mol, XLogP of -0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,6-dioxopiperidin-3-yl)-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 79569385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).