2-(ethylamino)-N-pyridazin-3-ylethanesulfonamide

C8H14N4O2S — CID 116787317

IUPAC2-(ethylamino)-N-pyridazin-3-ylethanesulfonamide
SMILESCCNCCS(=O)(=O)Nc1cccnn1
InChIInChI=1S/C8H14N4O2S/c1-2-9-6-7-15(13,14)12-8-4-3-5-10-11-8/h3-5,9H,2,6-7H2,1H3,(H,11,12)
InChIKeyMPCGNXCFDMMXIO-UHFFFAOYSA-N
MW230.29 g/mol
LogP-0.17
Rot. Bonds6

About 2-(ethylamino)-N-pyridazin-3-ylethanesulfonamide

2-(ethylamino)-N-pyridazin-3-ylethanesulfonamide (PubChem CID 116787317) has the molecular formula C8H14N4O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is 2-(ethylamino)-N-pyridazin-3-ylethanesulfonamide.

Molecular Properties

Compound Name2-(ethylamino)-N-pyridazin-3-ylethanesulfonamide
PubChem CID116787317
Molecular FormulaC8H14N4O2S
Molecular Weight230.29 g/mol
Exact Mass230.08
IUPAC Name2-(ethylamino)-N-pyridazin-3-ylethanesulfonamide
SMILESCCNCCS(=O)(=O)Nc1cccnn1
InChIInChI=1S/C8H14N4O2S/c1-2-9-6-7-15(13,14)12-8-4-3-5-10-11-8/h3-5,9H,2,6-7H2,1H3,(H,11,12)
InChIKeyMPCGNXCFDMMXIO-UHFFFAOYSA-N
XLogP-0.17
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(propan-2-ylamino)-N-pyridazin-3-ylethanesulfonamide
CID 116787333
2-(2-aminophenyl)sulfanyl-N-pyridazin-3-ylethanesulfonamide
CID 116786165
3-(ethylamino)-N-(6-methyl-2-pyridinyl)propane-1-sulfonamide
CID 106086909
2-ethylsulfonyl-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895585
6-(ethylamino)-N-pyridazin-3-ylpyridine-3-sulfonamide
CID 116787805
2-(ethylamino)-N-(2-propylphenyl)ethanesulfonamide
CID 54972905
N-(3,4-dimethylphenyl)-2-(ethylamino)ethanesulfonamide
CID 54973592
4-methyl-N-pyridazin-3-ylbenzenesulfonamide
CID 118115921
6-(propylamino)-N-pyridazin-3-ylpyridine-3-sulfonamide
CID 116787796
2-propylsulfonyl-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895805
2-bromo-5-(propylaminomethyl)-N-pyridazin-3-ylfuran-3-sulfonamide
CID 106084083
N-(3-bromo-2-pyridinyl)-4-(ethylamino)butane-1-sulfonamide
CID 106062119

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-pyridazin-3-ylethanesulfonamide?
The IUPAC name of 2-(ethylamino)-N-pyridazin-3-ylethanesulfonamide (CID 116787317) is 2-(ethylamino)-N-pyridazin-3-ylethanesulfonamide.
What is the SMILES notation for 2-(ethylamino)-N-pyridazin-3-ylethanesulfonamide?
The canonical SMILES for 2-(ethylamino)-N-pyridazin-3-ylethanesulfonamide is CCNCCS(=O)(=O)Nc1cccnn1.
What is the InChIKey of 2-(ethylamino)-N-pyridazin-3-ylethanesulfonamide?
The InChIKey is MPCGNXCFDMMXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S/c1-2-9-6-7-15(13,14)12-8-4-3-5-10-11-8/h3-5,9H,2,6-7H2,1H3,(H,11,12).
What are the key properties of 2-(ethylamino)-N-pyridazin-3-ylethanesulfonamide?
2-(ethylamino)-N-pyridazin-3-ylethanesulfonamide has a molecular weight of 230.29 g/mol, XLogP of -0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-pyridazin-3-ylethanesulfonamide is sourced from PubChem (CID 116787317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).