N,N-dimethyl-3-oxopiperazine-1-sulfonamide

C6H13N3O3S — CID 35301856

IUPACN,N-dimethyl-3-oxopiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCNC(=O)C1
InChIInChI=1S/C6H13N3O3S/c1-8(2)13(11,12)9-4-3-7-6(10)5-9/h3-5H2,1-2H3,(H,7,10)
InChIKeyDAFUVEKWHQDRGC-UHFFFAOYSA-N
MW207.25 g/mol
LogP-1.78
Rot. Bonds2

About N,N-dimethyl-3-oxopiperazine-1-sulfonamide

N,N-dimethyl-3-oxopiperazine-1-sulfonamide (PubChem CID 35301856) has the molecular formula C6H13N3O3S and a molecular weight of 207.25 g/mol. Its IUPAC name is N,N-dimethyl-3-oxopiperazine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-oxopiperazine-1-sulfonamide
PubChem CID35301856
Molecular FormulaC6H13N3O3S
Molecular Weight207.25 g/mol
Exact Mass207.07
IUPAC NameN,N-dimethyl-3-oxopiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCNC(=O)C1
InChIInChI=1S/C6H13N3O3S/c1-8(2)13(11,12)9-4-3-7-6(10)5-9/h3-5H2,1-2H3,(H,7,10)
InChIKeyDAFUVEKWHQDRGC-UHFFFAOYSA-N
XLogP-1.78
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 5-1.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-oxopiperazine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-3-oxopiperazine-1-sulfonamide (CID 35301856) is N,N-dimethyl-3-oxopiperazine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-3-oxopiperazine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-3-oxopiperazine-1-sulfonamide is CN(C)S(=O)(=O)N1CCNC(=O)C1.
What is the InChIKey of N,N-dimethyl-3-oxopiperazine-1-sulfonamide?
The InChIKey is DAFUVEKWHQDRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O3S/c1-8(2)13(11,12)9-4-3-7-6(10)5-9/h3-5H2,1-2H3,(H,7,10).
What are the key properties of N,N-dimethyl-3-oxopiperazine-1-sulfonamide?
N,N-dimethyl-3-oxopiperazine-1-sulfonamide has a molecular weight of 207.25 g/mol, XLogP of -1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-oxopiperazine-1-sulfonamide is sourced from PubChem (CID 35301856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).