N,N-diethyl-2,2-dimethyl-3,5-dioxopiperazine-1-sulfonamide

C10H19N3O4S — CID 66074047

IUPACN,N-diethyl-2,2-dimethyl-3,5-dioxopiperazine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CC(=O)NC(=O)C1(C)C
InChIInChI=1S/C10H19N3O4S/c1-5-12(6-2)18(16,17)13-7-8(14)11-9(15)10(13,3)4/h5-7H2,1-4H3,(H,11,14,15)
InChIKeyVKUPPXNWJCNRJU-UHFFFAOYSA-N
MW277.35 g/mol
LogP-0.69
Rot. Bonds4

About N,N-diethyl-2,2-dimethyl-3,5-dioxopiperazine-1-sulfonamide

N,N-diethyl-2,2-dimethyl-3,5-dioxopiperazine-1-sulfonamide (PubChem CID 66074047) has the molecular formula C10H19N3O4S and a molecular weight of 277.35 g/mol. Its IUPAC name is N,N-diethyl-2,2-dimethyl-3,5-dioxopiperazine-1-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-2,2-dimethyl-3,5-dioxopiperazine-1-sulfonamide
PubChem CID66074047
Molecular FormulaC10H19N3O4S
Molecular Weight277.35 g/mol
Exact Mass277.11
IUPAC NameN,N-diethyl-2,2-dimethyl-3,5-dioxopiperazine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CC(=O)NC(=O)C1(C)C
InChIInChI=1S/C10H19N3O4S/c1-5-12(6-2)18(16,17)13-7-8(14)11-9(15)10(13,3)4/h5-7H2,1-4H3,(H,11,14,15)
InChIKeyVKUPPXNWJCNRJU-UHFFFAOYSA-N
XLogP-0.69
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
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 N,N-diethyl-2,2-dimethyl-3,5-dioxopiperazine-1-sulfonamide?
The IUPAC name of N,N-diethyl-2,2-dimethyl-3,5-dioxopiperazine-1-sulfonamide (CID 66074047) is N,N-diethyl-2,2-dimethyl-3,5-dioxopiperazine-1-sulfonamide.
What is the SMILES notation for N,N-diethyl-2,2-dimethyl-3,5-dioxopiperazine-1-sulfonamide?
The canonical SMILES for N,N-diethyl-2,2-dimethyl-3,5-dioxopiperazine-1-sulfonamide is CCN(CC)S(=O)(=O)N1CC(=O)NC(=O)C1(C)C.
What is the InChIKey of N,N-diethyl-2,2-dimethyl-3,5-dioxopiperazine-1-sulfonamide?
The InChIKey is VKUPPXNWJCNRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4S/c1-5-12(6-2)18(16,17)13-7-8(14)11-9(15)10(13,3)4/h5-7H2,1-4H3,(H,11,14,15).
What are the key properties of N,N-diethyl-2,2-dimethyl-3,5-dioxopiperazine-1-sulfonamide?
N,N-diethyl-2,2-dimethyl-3,5-dioxopiperazine-1-sulfonamide has a molecular weight of 277.35 g/mol, XLogP of -0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2,2-dimethyl-3,5-dioxopiperazine-1-sulfonamide is sourced from PubChem (CID 66074047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).