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

C10H18N4O3S — CID 106081778

IUPACN-(6-oxo-1H-pyridazin-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide
SMILESCC(C)NCC(C)S(=O)(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C10H18N4O3S/c1-7(2)11-6-8(3)18(16,17)14-9-4-5-10(15)13-12-9/h4-5,7-8,11H,6H2,1-3H3,(H,12,14)(H,13,15)
InChIKeySXRJJTNEIOJSNK-UHFFFAOYSA-N
MW274.35 g/mol
LogP-0.10
Rot. Bonds6

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

N-(6-oxo-1H-pyridazin-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide (PubChem CID 106081778) has the molecular formula C10H18N4O3S and a molecular weight of 274.35 g/mol. Its IUPAC name is N-(6-oxo-1H-pyridazin-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(6-oxo-1H-pyridazin-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide
PubChem CID106081778
Molecular FormulaC10H18N4O3S
Molecular Weight274.35 g/mol
Exact Mass274.11
IUPAC NameN-(6-oxo-1H-pyridazin-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide
SMILESCC(C)NCC(C)S(=O)(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C10H18N4O3S/c1-7(2)11-6-8(3)18(16,17)14-9-4-5-10(15)13-12-9/h4-5,7-8,11H,6H2,1-3H3,(H,12,14)(H,13,15)
InChIKeySXRJJTNEIOJSNK-UHFFFAOYSA-N
XLogP-0.10
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 5-0.10
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
3-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-6-oxo-1H-pyridazine
CID 106081724
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
3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-6-oxo-1H-pyridazine
CID 106081753
3-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]-6-oxo-1H-pyridazine
CID 106081754
3-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]-6-oxo-1H-pyridazine
CID 106081777
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

Frequently Asked Questions

What is the IUPAC name of N-(6-oxo-1H-pyridazin-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide?
The IUPAC name of N-(6-oxo-1H-pyridazin-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide (CID 106081778) is N-(6-oxo-1H-pyridazin-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide.
What is the SMILES notation for N-(6-oxo-1H-pyridazin-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide?
The canonical SMILES for N-(6-oxo-1H-pyridazin-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide is CC(C)NCC(C)S(=O)(=O)Nc1ccc(=O)[nH]n1.
What is the InChIKey of N-(6-oxo-1H-pyridazin-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide?
The InChIKey is SXRJJTNEIOJSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3S/c1-7(2)11-6-8(3)18(16,17)14-9-4-5-10(15)13-12-9/h4-5,7-8,11H,6H2,1-3H3,(H,12,14)(H,13,15).
What are the key properties of N-(6-oxo-1H-pyridazin-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide?
N-(6-oxo-1H-pyridazin-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide has a molecular weight of 274.35 g/mol, XLogP of -0.10, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-oxo-1H-pyridazin-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide is sourced from PubChem (CID 106081778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).