N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]pyrrolidine-1-sulfonamide

C12H22N6O2S — CID 122320980

IUPACN-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]pyrrolidine-1-sulfonamide
SMILESCN(C)c1cnnc(NCCNS(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C12H22N6O2S/c1-17(2)11-9-12(16-14-10-11)13-5-6-15-21(19,20)18-7-3-4-8-18/h9-10,15H,3-8H2,1-2H3,(H,13,16)
InChIKeyLBTGMDQVKBQOOF-UHFFFAOYSA-N
MW314.42 g/mol
LogP-0.12
Rot. Bonds7

About N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]pyrrolidine-1-sulfonamide

N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]pyrrolidine-1-sulfonamide (PubChem CID 122320980) has the molecular formula C12H22N6O2S and a molecular weight of 314.42 g/mol. Its IUPAC name is N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]pyrrolidine-1-sulfonamide
PubChem CID122320980
Molecular FormulaC12H22N6O2S
Molecular Weight314.42 g/mol
Exact Mass314.15
IUPAC NameN-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]pyrrolidine-1-sulfonamide
SMILESCN(C)c1cnnc(NCCNS(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C12H22N6O2S/c1-17(2)11-9-12(16-14-10-11)13-5-6-15-21(19,20)18-7-3-4-8-18/h9-10,15H,3-8H2,1-2H3,(H,13,16)
InChIKeyLBTGMDQVKBQOOF-UHFFFAOYSA-N
XLogP-0.12
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.42
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]pyrrolidine-1-sulfonamide (CID 122320980) is N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]pyrrolidine-1-sulfonamide is CN(C)c1cnnc(NCCNS(=O)(=O)N2CCCC2)c1.
What is the InChIKey of N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]pyrrolidine-1-sulfonamide?
The InChIKey is LBTGMDQVKBQOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O2S/c1-17(2)11-9-12(16-14-10-11)13-5-6-15-21(19,20)18-7-3-4-8-18/h9-10,15H,3-8H2,1-2H3,(H,13,16).
What are the key properties of N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]pyrrolidine-1-sulfonamide?
N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]pyrrolidine-1-sulfonamide has a molecular weight of 314.42 g/mol, XLogP of -0.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 122320980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).