2-amino-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide

C6H10N4O3S — CID 116786578

IUPAC2-amino-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide
SMILESNCCS(=O)(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C6H10N4O3S/c7-3-4-14(12,13)10-5-1-2-6(11)9-8-5/h1-2H,3-4,7H2,(H,8,10)(H,9,11)
InChIKeyXDQWVBBGOPYJQY-UHFFFAOYSA-N
MW218.24 g/mol
LogP-1.53
Rot. Bonds4

About 2-amino-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide

2-amino-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide (PubChem CID 116786578) has the molecular formula C6H10N4O3S and a molecular weight of 218.24 g/mol. Its IUPAC name is 2-amino-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide
PubChem CID116786578
Molecular FormulaC6H10N4O3S
Molecular Weight218.24 g/mol
Exact Mass218.05
IUPAC Name2-amino-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide
SMILESNCCS(=O)(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C6H10N4O3S/c7-3-4-14(12,13)10-5-1-2-6(11)9-8-5/h1-2H,3-4,7H2,(H,8,10)(H,9,11)
InChIKeyXDQWVBBGOPYJQY-UHFFFAOYSA-N
XLogP-1.53
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.24
LogP ≤ 5-1.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide?
The IUPAC name of 2-amino-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide (CID 116786578) is 2-amino-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide.
What is the SMILES notation for 2-amino-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide?
The canonical SMILES for 2-amino-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide is NCCS(=O)(=O)Nc1ccc(=O)[nH]n1.
What is the InChIKey of 2-amino-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide?
The InChIKey is XDQWVBBGOPYJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O3S/c7-3-4-14(12,13)10-5-1-2-6(11)9-8-5/h1-2H,3-4,7H2,(H,8,10)(H,9,11).
What are the key properties of 2-amino-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide?
2-amino-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide has a molecular weight of 218.24 g/mol, XLogP of -1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide is sourced from PubChem (CID 116786578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).