N-[1-(5-chloro-1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]methanesulfonamide

C11H17ClN4O3S — CID 75419601

IUPACN-[1-(5-chloro-1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]methanesulfonamide
SMILESCn1ncc(N2CCCC(NS(C)(=O)=O)C2)c(Cl)c1=O
InChIInChI=1S/C11H17ClN4O3S/c1-15-11(17)10(12)9(6-13-15)16-5-3-4-8(7-16)14-20(2,18)19/h6,8,14H,3-5,7H2,1-2H3
InChIKeyCTLRLXYZKPRGMX-UHFFFAOYSA-N
MW320.80 g/mol
LogP-0.05
Rot. Bonds3

About N-[1-(5-chloro-1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]methanesulfonamide

N-[1-(5-chloro-1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]methanesulfonamide (PubChem CID 75419601) has the molecular formula C11H17ClN4O3S and a molecular weight of 320.80 g/mol. Its IUPAC name is N-[1-(5-chloro-1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(5-chloro-1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]methanesulfonamide
PubChem CID75419601
Molecular FormulaC11H17ClN4O3S
Molecular Weight320.80 g/mol
Exact Mass320.07
IUPAC NameN-[1-(5-chloro-1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]methanesulfonamide
SMILESCn1ncc(N2CCCC(NS(C)(=O)=O)C2)c(Cl)c1=O
InChIInChI=1S/C11H17ClN4O3S/c1-15-11(17)10(12)9(6-13-15)16-5-3-4-8(7-16)14-20(2,18)19/h6,8,14H,3-5,7H2,1-2H3
InChIKeyCTLRLXYZKPRGMX-UHFFFAOYSA-N
XLogP-0.05
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(3S)-3-anilinopiperidin-1-yl]-4-chloro-2-methylpyridazin-3-one
CID 97226291
4-chloro-2-methyl-5-[(3S)-3-methylpiperidin-1-yl]pyridazin-3-one
CID 33286693
4-chloro-5-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpyridazin-3-one
CID 129352579
4-chloro-2-methyl-5-[3-(phenoxymethyl)piperidin-1-yl]pyridazin-3-one
CID 133308219
5-[3-(1-aminoethyl)pyrrolidin-1-yl]-4-chloro-2-methylpyridazin-3-one
CID 114447140
4-chloro-2-methyl-5-[(1-methylsulfonylpiperidin-3-yl)amino]pyridazin-3-one
CID 47406239
4-chloro-2-methyl-5-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 17088020
N-(1-pyrazin-2-ylpiperidin-3-yl)methanesulfonamide
CID 163354597
4-chloro-5-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpyridazin-3-one
CID 47281084
4-chloro-2-methyl-5-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-one
CID 158190785
4-chloro-5-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpyridazin-3-one
CID 14910722
N-[(3R)-1-(2-fluoro-5-methylphenyl)piperidin-3-yl]methanesulfonamide
CID 95629495

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chloro-1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-(5-chloro-1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]methanesulfonamide (CID 75419601) is N-[1-(5-chloro-1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(5-chloro-1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-(5-chloro-1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]methanesulfonamide is Cn1ncc(N2CCCC(NS(C)(=O)=O)C2)c(Cl)c1=O.
What is the InChIKey of N-[1-(5-chloro-1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]methanesulfonamide?
The InChIKey is CTLRLXYZKPRGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O3S/c1-15-11(17)10(12)9(6-13-15)16-5-3-4-8(7-16)14-20(2,18)19/h6,8,14H,3-5,7H2,1-2H3.
What are the key properties of N-[1-(5-chloro-1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]methanesulfonamide?
N-[1-(5-chloro-1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]methanesulfonamide has a molecular weight of 320.80 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chloro-1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 75419601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).