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

C6H11N3O4S — CID 66084403

IUPACN,N-dimethyl-3,5-dioxopiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC(=O)NC(=O)C1
InChIInChI=1S/C6H11N3O4S/c1-8(2)14(12,13)9-3-5(10)7-6(11)4-9/h3-4H2,1-2H3,(H,7,10,11)
InChIKeyRKMKCCJZGSJNSN-UHFFFAOYSA-N
MW221.24 g/mol
LogP-2.25
Rot. Bonds2

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

N,N-dimethyl-3,5-dioxopiperazine-1-sulfonamide (PubChem CID 66084403) has the molecular formula C6H11N3O4S and a molecular weight of 221.24 g/mol. Its IUPAC name is N,N-dimethyl-3,5-dioxopiperazine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3,5-dioxopiperazine-1-sulfonamide
PubChem CID66084403
Molecular FormulaC6H11N3O4S
Molecular Weight221.24 g/mol
Exact Mass221.05
IUPAC NameN,N-dimethyl-3,5-dioxopiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC(=O)NC(=O)C1
InChIInChI=1S/C6H11N3O4S/c1-8(2)14(12,13)9-3-5(10)7-6(11)4-9/h3-4H2,1-2H3,(H,7,10,11)
InChIKeyRKMKCCJZGSJNSN-UHFFFAOYSA-N
XLogP-2.25
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 5-2.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Methylpiperazine-2,6-dione
CID 124723
3-Oxopiperazine-1-sulfonamide
CID 43132045
3,5-dioxo-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
CID 113637310
4-Ethylpiperazine-2,6-dione
CID 20144307
N,N-dimethyl-3-oxopiperazine-1-sulfonamide
CID 35301856
2,2-Dimethyl-3,5-dioxopiperazine-1-sulfonamide
CID 66074806
4-Methylsulfonylpiperazine-2,6-dione
CID 66084034
N-piperazin-1-ylsulfonylacetamide
CID 117126269
4-[Dimethyl(sulfanyl)-lambda4-sulfanyl]piperazine-2,6-dione
CID 135218544
Ethane;4-methylpiperazine-2,6-dione
CID 141853892
Ethane;piperazine-2,6-dione
CID 144998581
Alumanylium;4-sulfinatopiperazin-2-one
CID 148012189

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3,5-dioxopiperazine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-3,5-dioxopiperazine-1-sulfonamide (CID 66084403) is N,N-dimethyl-3,5-dioxopiperazine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-3,5-dioxopiperazine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-3,5-dioxopiperazine-1-sulfonamide is CN(C)S(=O)(=O)N1CC(=O)NC(=O)C1.
What is the InChIKey of N,N-dimethyl-3,5-dioxopiperazine-1-sulfonamide?
The InChIKey is RKMKCCJZGSJNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O4S/c1-8(2)14(12,13)9-3-5(10)7-6(11)4-9/h3-4H2,1-2H3,(H,7,10,11).
What are the key properties of N,N-dimethyl-3,5-dioxopiperazine-1-sulfonamide?
N,N-dimethyl-3,5-dioxopiperazine-1-sulfonamide has a molecular weight of 221.24 g/mol, XLogP of -2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3,5-dioxopiperazine-1-sulfonamide is sourced from PubChem (CID 66084403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).