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

C7H12N4O3S — CID 116786583

IUPAC1-amino-N-(6-oxo-1H-pyridazin-3-yl)propane-2-sulfonamide
SMILESCC(CN)S(=O)(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C7H12N4O3S/c1-5(4-8)15(13,14)11-6-2-3-7(12)10-9-6/h2-3,5H,4,8H2,1H3,(H,9,11)(H,10,12)
InChIKeyFBFNEDMNRBKRBL-UHFFFAOYSA-N
MW232.27 g/mol
LogP-1.14
Rot. Bonds4

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

1-amino-N-(6-oxo-1H-pyridazin-3-yl)propane-2-sulfonamide (PubChem CID 116786583) has the molecular formula C7H12N4O3S and a molecular weight of 232.27 g/mol. Its IUPAC name is 1-amino-N-(6-oxo-1H-pyridazin-3-yl)propane-2-sulfonamide.

Molecular Properties

Compound Name1-amino-N-(6-oxo-1H-pyridazin-3-yl)propane-2-sulfonamide
PubChem CID116786583
Molecular FormulaC7H12N4O3S
Molecular Weight232.27 g/mol
Exact Mass232.06
IUPAC Name1-amino-N-(6-oxo-1H-pyridazin-3-yl)propane-2-sulfonamide
SMILESCC(CN)S(=O)(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C7H12N4O3S/c1-5(4-8)15(13,14)11-6-2-3-7(12)10-9-6/h2-3,5H,4,8H2,1H3,(H,9,11)(H,10,12)
InChIKeyFBFNEDMNRBKRBL-UHFFFAOYSA-N
XLogP-1.14
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-oxo-1H-pyridazin-3-yl)-3-(propylamino)propane-1-sulfonamide
CID 106081707
1-(cyclopropylamino)-N-(6-oxo-1H-pyridazin-3-yl)propane-2-sulfonamide
CID 106081727
4-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)butane-1-sulfonamide
CID 106081734
N-(6-oxo-1H-pyridazin-3-yl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106081735
2-(cyclopropylamino)-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide
CID 106081745
N-(6-oxo-1H-pyridazin-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106081778
3-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)propane-1-sulfonamide
CID 106081781
1-(methylamino)-N-(6-oxo-1H-pyridazin-3-yl)propane-2-sulfonamide
CID 106081795
3-(methylamino)-N-(6-oxo-1H-pyridazin-3-yl)propane-1-sulfonamide
CID 106081798
N-(6-oxo-1H-pyridazin-3-yl)-4-(propylamino)butane-1-sulfonamide
CID 106081818
1-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)propane-2-sulfonamide
CID 106081845
2-chloro-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide
CID 107652538

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(6-oxo-1H-pyridazin-3-yl)propane-2-sulfonamide?
The IUPAC name of 1-amino-N-(6-oxo-1H-pyridazin-3-yl)propane-2-sulfonamide (CID 116786583) is 1-amino-N-(6-oxo-1H-pyridazin-3-yl)propane-2-sulfonamide.
What is the SMILES notation for 1-amino-N-(6-oxo-1H-pyridazin-3-yl)propane-2-sulfonamide?
The canonical SMILES for 1-amino-N-(6-oxo-1H-pyridazin-3-yl)propane-2-sulfonamide is CC(CN)S(=O)(=O)Nc1ccc(=O)[nH]n1.
What is the InChIKey of 1-amino-N-(6-oxo-1H-pyridazin-3-yl)propane-2-sulfonamide?
The InChIKey is FBFNEDMNRBKRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O3S/c1-5(4-8)15(13,14)11-6-2-3-7(12)10-9-6/h2-3,5H,4,8H2,1H3,(H,9,11)(H,10,12).
What are the key properties of 1-amino-N-(6-oxo-1H-pyridazin-3-yl)propane-2-sulfonamide?
1-amino-N-(6-oxo-1H-pyridazin-3-yl)propane-2-sulfonamide has a molecular weight of 232.27 g/mol, XLogP of -1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(6-oxo-1H-pyridazin-3-yl)propane-2-sulfonamide is sourced from PubChem (CID 116786583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).