N,1-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)imidazole-4-sulfonamide

C11H19N5O3S — CID 62373281

IUPACN,1-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)imidazole-4-sulfonamide
SMILESCN(CC(=O)N1CCNCC1)S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C11H19N5O3S/c1-14-7-10(13-9-14)20(18,19)15(2)8-11(17)16-5-3-12-4-6-16/h7,9,12H,3-6,8H2,1-2H3
InChIKeyXSRIQEXNBHHZFN-UHFFFAOYSA-N
MW301.37 g/mol
LogP-1.53
Rot. Bonds4

About N,1-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)imidazole-4-sulfonamide

N,1-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)imidazole-4-sulfonamide (PubChem CID 62373281) has the molecular formula C11H19N5O3S and a molecular weight of 301.37 g/mol. Its IUPAC name is N,1-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)imidazole-4-sulfonamide.

Molecular Properties

Compound NameN,1-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)imidazole-4-sulfonamide
PubChem CID62373281
Molecular FormulaC11H19N5O3S
Molecular Weight301.37 g/mol
Exact Mass301.12
IUPAC NameN,1-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)imidazole-4-sulfonamide
SMILESCN(CC(=O)N1CCNCC1)S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C11H19N5O3S/c1-14-7-10(13-9-14)20(18,19)15(2)8-11(17)16-5-3-12-4-6-16/h7,9,12H,3-6,8H2,1-2H3
InChIKeyXSRIQEXNBHHZFN-UHFFFAOYSA-N
XLogP-1.53
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 5-1.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)imidazole-4-sulfonamide?
The IUPAC name of N,1-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)imidazole-4-sulfonamide (CID 62373281) is N,1-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)imidazole-4-sulfonamide.
What is the SMILES notation for N,1-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)imidazole-4-sulfonamide?
The canonical SMILES for N,1-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)imidazole-4-sulfonamide is CN(CC(=O)N1CCNCC1)S(=O)(=O)c1cn(C)cn1.
What is the InChIKey of N,1-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)imidazole-4-sulfonamide?
The InChIKey is XSRIQEXNBHHZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3S/c1-14-7-10(13-9-14)20(18,19)15(2)8-11(17)16-5-3-12-4-6-16/h7,9,12H,3-6,8H2,1-2H3.
What are the key properties of N,1-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)imidazole-4-sulfonamide?
N,1-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)imidazole-4-sulfonamide has a molecular weight of 301.37 g/mol, XLogP of -1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)imidazole-4-sulfonamide is sourced from PubChem (CID 62373281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).