N-(2-methoxyethyl)-2,2-dimethyl-3,5-dioxopiperazine-1-sulfonamide

C9H17N3O5S — CID 114815928

IUPACN-(2-methoxyethyl)-2,2-dimethyl-3,5-dioxopiperazine-1-sulfonamide
SMILESCOCCNS(=O)(=O)N1CC(=O)NC(=O)C1(C)C
InChIInChI=1S/C9H17N3O5S/c1-9(2)8(14)11-7(13)6-12(9)18(15,16)10-4-5-17-3/h10H,4-6H2,1-3H3,(H,11,13,14)
InChIKeyCUOKBHBOBPDWLT-UHFFFAOYSA-N
MW279.32 g/mol
LogP-1.80
Rot. Bonds5

About N-(2-methoxyethyl)-2,2-dimethyl-3,5-dioxopiperazine-1-sulfonamide

N-(2-methoxyethyl)-2,2-dimethyl-3,5-dioxopiperazine-1-sulfonamide (PubChem CID 114815928) has the molecular formula C9H17N3O5S and a molecular weight of 279.32 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2,2-dimethyl-3,5-dioxopiperazine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2,2-dimethyl-3,5-dioxopiperazine-1-sulfonamide
PubChem CID114815928
Molecular FormulaC9H17N3O5S
Molecular Weight279.32 g/mol
Exact Mass279.09
IUPAC NameN-(2-methoxyethyl)-2,2-dimethyl-3,5-dioxopiperazine-1-sulfonamide
SMILESCOCCNS(=O)(=O)N1CC(=O)NC(=O)C1(C)C
InChIInChI=1S/C9H17N3O5S/c1-9(2)8(14)11-7(13)6-12(9)18(15,16)10-4-5-17-3/h10H,4-6H2,1-3H3,(H,11,13,14)
InChIKeyCUOKBHBOBPDWLT-UHFFFAOYSA-N
XLogP-1.80
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 5-1.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2,2-dimethyl-3,5-dioxopiperazine-1-sulfonamide?
The IUPAC name of N-(2-methoxyethyl)-2,2-dimethyl-3,5-dioxopiperazine-1-sulfonamide (CID 114815928) is N-(2-methoxyethyl)-2,2-dimethyl-3,5-dioxopiperazine-1-sulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)-2,2-dimethyl-3,5-dioxopiperazine-1-sulfonamide?
The canonical SMILES for N-(2-methoxyethyl)-2,2-dimethyl-3,5-dioxopiperazine-1-sulfonamide is COCCNS(=O)(=O)N1CC(=O)NC(=O)C1(C)C.
What is the InChIKey of N-(2-methoxyethyl)-2,2-dimethyl-3,5-dioxopiperazine-1-sulfonamide?
The InChIKey is CUOKBHBOBPDWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O5S/c1-9(2)8(14)11-7(13)6-12(9)18(15,16)10-4-5-17-3/h10H,4-6H2,1-3H3,(H,11,13,14).
What are the key properties of N-(2-methoxyethyl)-2,2-dimethyl-3,5-dioxopiperazine-1-sulfonamide?
N-(2-methoxyethyl)-2,2-dimethyl-3,5-dioxopiperazine-1-sulfonamide has a molecular weight of 279.32 g/mol, XLogP of -1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2,2-dimethyl-3,5-dioxopiperazine-1-sulfonamide is sourced from PubChem (CID 114815928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).