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

C11H23N3O3S — CID 55234015

IUPACN,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)propane-2-sulfonamide
SMILESCN(CC(=O)N1CCNCC1)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C11H23N3O3S/c1-11(2,3)18(16,17)13(4)9-10(15)14-7-5-12-6-8-14/h12H,5-9H2,1-4H3
InChIKeyIRDAYEYRDVLVNA-UHFFFAOYSA-N
MW277.39 g/mol
LogP-0.52
Rot. Bonds3

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

N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)propane-2-sulfonamide (PubChem CID 55234015) has the molecular formula C11H23N3O3S and a molecular weight of 277.39 g/mol. Its IUPAC name is N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)propane-2-sulfonamide
PubChem CID55234015
Molecular FormulaC11H23N3O3S
Molecular Weight277.39 g/mol
Exact Mass277.15
IUPAC NameN,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)propane-2-sulfonamide
SMILESCN(CC(=O)N1CCNCC1)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C11H23N3O3S/c1-11(2,3)18(16,17)13(4)9-10(15)14-7-5-12-6-8-14/h12H,5-9H2,1-4H3
InChIKeyIRDAYEYRDVLVNA-UHFFFAOYSA-N
XLogP-0.52
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)propane-2-sulfonamide?
The IUPAC name of N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)propane-2-sulfonamide (CID 55234015) is N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)propane-2-sulfonamide.
What is the SMILES notation for N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)propane-2-sulfonamide?
The canonical SMILES for N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)propane-2-sulfonamide is CN(CC(=O)N1CCNCC1)S(=O)(=O)C(C)(C)C.
What is the InChIKey of N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)propane-2-sulfonamide?
The InChIKey is IRDAYEYRDVLVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S/c1-11(2,3)18(16,17)13(4)9-10(15)14-7-5-12-6-8-14/h12H,5-9H2,1-4H3.
What are the key properties of N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)propane-2-sulfonamide?
N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)propane-2-sulfonamide has a molecular weight of 277.39 g/mol, XLogP of -0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)propane-2-sulfonamide is sourced from PubChem (CID 55234015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).