2-ethyl-3,5-dioxopiperazine-1-sulfonamide

C6H11N3O4S — CID 66067408

IUPAC2-ethyl-3,5-dioxopiperazine-1-sulfonamide
SMILESCCC1C(=O)NC(=O)CN1S(N)(=O)=O
InChIInChI=1S/C6H11N3O4S/c1-2-4-6(11)8-5(10)3-9(4)14(7,12)13/h4H,2-3H2,1H3,(H2,7,12,13)(H,8,10,11)
InChIKeyBFOZBJZELQWFBI-UHFFFAOYSA-N
MW221.24 g/mol
LogP-2.07
Rot. Bonds2

About 2-ethyl-3,5-dioxopiperazine-1-sulfonamide

2-ethyl-3,5-dioxopiperazine-1-sulfonamide (PubChem CID 66067408) has the molecular formula C6H11N3O4S and a molecular weight of 221.24 g/mol. Its IUPAC name is 2-ethyl-3,5-dioxopiperazine-1-sulfonamide.

Molecular Properties

Compound Name2-ethyl-3,5-dioxopiperazine-1-sulfonamide
PubChem CID66067408
Molecular FormulaC6H11N3O4S
Molecular Weight221.24 g/mol
Exact Mass221.05
IUPAC Name2-ethyl-3,5-dioxopiperazine-1-sulfonamide
SMILESCCC1C(=O)NC(=O)CN1S(N)(=O)=O
InChIInChI=1S/C6H11N3O4S/c1-2-4-6(11)8-5(10)3-9(4)14(7,12)13/h4H,2-3H2,1H3,(H2,7,12,13)(H,8,10,11)
InChIKeyBFOZBJZELQWFBI-UHFFFAOYSA-N
XLogP-2.07
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 5-2.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-3-ethylpiperazine-2,6-dione
CID 66067321
3-ethyl-4-(2-piperidin-4-ylethylsulfonyl)piperazine-2,6-dione
CID 66067816
4-[(2-amino-4-pyridinyl)sulfonyl]-3-ethylpiperazine-2,6-dione
CID 66069947
3-ethyl-4-[4-(methylamino)phenyl]sulfonylpiperazine-2,6-dione
CID 66068785
4-(5-amino-2-chlorophenyl)sulfonyl-3-ethylpiperazine-2,6-dione
CID 66069437
4-(2-amino-4-fluorophenyl)sulfonyl-3-ethylpiperazine-2,6-dione
CID 66067127
3-ethyl-4-(2-phenylethenylsulfonyl)piperazine-2,6-dione
CID 77111938
4-[5-(2-aminoethyl)thiophen-2-yl]sulfonyl-3-ethylpiperazine-2,6-dione
CID 66068399
5-(2-ethyl-3,5-dioxopiperazin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 66070031
4-(3-chlorophenyl)sulfonyl-3-ethylpiperazine-2,6-dione
CID 66070097
3-ethyl-4-[(3-hydrazinyl-2-pyridinyl)sulfonyl]piperazine-2,6-dione
CID 103301737
4-[(6-amino-5-chloro-3-pyridinyl)sulfonyl]-3-ethylpiperazine-2,6-dione
CID 66067065

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,5-dioxopiperazine-1-sulfonamide?
The IUPAC name of 2-ethyl-3,5-dioxopiperazine-1-sulfonamide (CID 66067408) is 2-ethyl-3,5-dioxopiperazine-1-sulfonamide.
What is the SMILES notation for 2-ethyl-3,5-dioxopiperazine-1-sulfonamide?
The canonical SMILES for 2-ethyl-3,5-dioxopiperazine-1-sulfonamide is CCC1C(=O)NC(=O)CN1S(N)(=O)=O.
What is the InChIKey of 2-ethyl-3,5-dioxopiperazine-1-sulfonamide?
The InChIKey is BFOZBJZELQWFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O4S/c1-2-4-6(11)8-5(10)3-9(4)14(7,12)13/h4H,2-3H2,1H3,(H2,7,12,13)(H,8,10,11).
What are the key properties of 2-ethyl-3,5-dioxopiperazine-1-sulfonamide?
2-ethyl-3,5-dioxopiperazine-1-sulfonamide has a molecular weight of 221.24 g/mol, XLogP of -2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,5-dioxopiperazine-1-sulfonamide is sourced from PubChem (CID 66067408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).