N-(6-oxo-1H-pyridazin-3-yl)-1-piperidin-3-ylmethanesulfonamide

C10H16N4O3S — CID 116787354

IUPACN-(6-oxo-1H-pyridazin-3-yl)-1-piperidin-3-ylmethanesulfonamide
SMILESO=c1ccc(NS(=O)(=O)CC2CCCNC2)n[nH]1
InChIInChI=1S/C10H16N4O3S/c15-10-4-3-9(12-13-10)14-18(16,17)7-8-2-1-5-11-6-8/h3-4,8,11H,1-2,5-7H2,(H,12,14)(H,13,15)
InChIKeyBNDLAVWZZCMCJL-UHFFFAOYSA-N
MW272.33 g/mol
LogP-0.49
Rot. Bonds4

About N-(6-oxo-1H-pyridazin-3-yl)-1-piperidin-3-ylmethanesulfonamide

N-(6-oxo-1H-pyridazin-3-yl)-1-piperidin-3-ylmethanesulfonamide (PubChem CID 116787354) has the molecular formula C10H16N4O3S and a molecular weight of 272.33 g/mol. Its IUPAC name is N-(6-oxo-1H-pyridazin-3-yl)-1-piperidin-3-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(6-oxo-1H-pyridazin-3-yl)-1-piperidin-3-ylmethanesulfonamide
PubChem CID116787354
Molecular FormulaC10H16N4O3S
Molecular Weight272.33 g/mol
Exact Mass272.09
IUPAC NameN-(6-oxo-1H-pyridazin-3-yl)-1-piperidin-3-ylmethanesulfonamide
SMILESO=c1ccc(NS(=O)(=O)CC2CCCNC2)n[nH]1
InChIInChI=1S/C10H16N4O3S/c15-10-4-3-9(12-13-10)14-18(16,17)7-8-2-1-5-11-6-8/h3-4,8,11H,1-2,5-7H2,(H,12,14)(H,13,15)
InChIKeyBNDLAVWZZCMCJL-UHFFFAOYSA-N
XLogP-0.49
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-pyridinyl)-1-piperidin-3-ylmethanesulfonamide
CID 54972113
N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-piperidin-3-ylmethanesulfonamide
CID 54972682
1-piperidin-3-yl-N-(thiatriazol-5-yl)methanesulfonamide
CID 114912971
1-piperidin-3-yl-N-(thiophen-3-ylmethyl)methanesulfonamide
CID 55173705
1-piperidin-3-yl-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide
CID 63823603
N-[(3-ethyl-2-pyridinyl)methyl]-1-piperidin-3-ylmethanesulfonamide
CID 82742611
4-(piperidin-3-ylmethylsulfonylmethyl)pyridine;hydrochloride
CID 71645755
N-(4-bromo-3-chlorophenyl)-1-piperidin-3-ylmethanesulfonamide
CID 107613659
N-(3-bromo-5-methylphenyl)-1-piperidin-3-ylmethanesulfonamide
CID 107584272
N-(3-fluoro-5-methylphenyl)-1-piperidin-3-ylmethanesulfonamide
CID 79050302
N-[(1-methylpyrazol-3-yl)methyl]-1-piperidin-3-ylmethanesulfonamide
CID 82873939
1-piperidin-3-yl-N-(1-propan-2-ylpyrazol-4-yl)methanesulfonamide
CID 62902333

Frequently Asked Questions

What is the IUPAC name of N-(6-oxo-1H-pyridazin-3-yl)-1-piperidin-3-ylmethanesulfonamide?
The IUPAC name of N-(6-oxo-1H-pyridazin-3-yl)-1-piperidin-3-ylmethanesulfonamide (CID 116787354) is N-(6-oxo-1H-pyridazin-3-yl)-1-piperidin-3-ylmethanesulfonamide.
What is the SMILES notation for N-(6-oxo-1H-pyridazin-3-yl)-1-piperidin-3-ylmethanesulfonamide?
The canonical SMILES for N-(6-oxo-1H-pyridazin-3-yl)-1-piperidin-3-ylmethanesulfonamide is O=c1ccc(NS(=O)(=O)CC2CCCNC2)n[nH]1.
What is the InChIKey of N-(6-oxo-1H-pyridazin-3-yl)-1-piperidin-3-ylmethanesulfonamide?
The InChIKey is BNDLAVWZZCMCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3S/c15-10-4-3-9(12-13-10)14-18(16,17)7-8-2-1-5-11-6-8/h3-4,8,11H,1-2,5-7H2,(H,12,14)(H,13,15).
What are the key properties of N-(6-oxo-1H-pyridazin-3-yl)-1-piperidin-3-ylmethanesulfonamide?
N-(6-oxo-1H-pyridazin-3-yl)-1-piperidin-3-ylmethanesulfonamide has a molecular weight of 272.33 g/mol, XLogP of -0.49, 4 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-piperidin-3-ylmethanesulfonamide is sourced from PubChem (CID 116787354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).