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

Allylthioaminopyridazine
CID 129887808
N-pyridazin-3-ylmethanesulfonamide
CID 58905431
1-(6-aminopyridazin-4-yl)-N,N-dimethylmethanesulfonamide
CID 118504316
N-pyridazin-3-ylbuta-1,3-diene-2-sulfonamide
CID 163910751
Methanesulfonic acid;pyridazin-3-amine
CID 174747797
Methanesulfonic acid;pyridazin-3-amine
CID 174748028
Ethanesulfonamide;4-methylpyridazin-3-amine
CID 174929350
N-(2-methylsulfonylethyl)pyridazin-3-amine
CID 62482235
3-(Pyridazin-3-ylamino)propane-1-sulfonamide
CID 62483676
N-[2-(pyridazin-3-ylamino)ethyl]methanesulfonamide
CID 62483862
2-(Pyridazin-3-ylamino)ethanesulfonamide
CID 62483863
N-ethyl-N-[3-(pyridazin-3-ylamino)propyl]methanesulfonamide
CID 62483865

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).