N-[3-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-3-oxopropyl]methanesulfonamide

C14H23N5O3S — CID 56802128

IUPACN-[3-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-3-oxopropyl]methanesulfonamide
SMILESCc1ccc(NC2CCN(C(=O)CCNS(C)(=O)=O)CC2)nn1
InChIInChI=1S/C14H23N5O3S/c1-11-3-4-13(18-17-11)16-12-6-9-19(10-7-12)14(20)5-8-15-23(2,21)22/h3-4,12,15H,5-10H2,1-2H3,(H,16,18)
InChIKeyCFFNQYYSEOXEBO-UHFFFAOYSA-N
MW341.44 g/mol
LogP0.13
Rot. Bonds6

About N-[3-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-3-oxopropyl]methanesulfonamide

N-[3-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-3-oxopropyl]methanesulfonamide (PubChem CID 56802128) has the molecular formula C14H23N5O3S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-[3-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-3-oxopropyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-3-oxopropyl]methanesulfonamide
PubChem CID56802128
Molecular FormulaC14H23N5O3S
Molecular Weight341.44 g/mol
Exact Mass341.15
IUPAC NameN-[3-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-3-oxopropyl]methanesulfonamide
SMILESCc1ccc(NC2CCN(C(=O)CCNS(C)(=O)=O)CC2)nn1
InChIInChI=1S/C14H23N5O3S/c1-11-3-4-13(18-17-11)16-12-6-9-19(10-7-12)14(20)5-8-15-23(2,21)22/h3-4,12,15H,5-10H2,1-2H3,(H,16,18)
InChIKeyCFFNQYYSEOXEBO-UHFFFAOYSA-N
XLogP0.13
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-3-oxopropyl]methanesulfonamide with MolForge

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanone
CID 56778583
[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-pyridin-4-ylmethanone
CID 56778575
[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 56778589
(5-methylpyrazin-2-yl)-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]methanone
CID 56778576
[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-(oxolan-3-yl)methanone
CID 56778602
[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 56778579
(2S)-2-imidazol-1-yl-1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]propan-1-one
CID 95601792
N-[3-oxo-3-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]propyl]methanesulfonamide
CID 95728525
N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
CID 47028347
4-(methylamino)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one
CID 119879728
1-N-methyl-4-N-(6-methylpyridazin-3-yl)cyclohexane-1,4-diamine
CID 79111022
4-[(6-iodopyridazin-3-yl)amino]piperidine-1-carboxylic acid
CID 172785569

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-3-oxopropyl]methanesulfonamide?
The IUPAC name of N-[3-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-3-oxopropyl]methanesulfonamide (CID 56802128) is N-[3-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-3-oxopropyl]methanesulfonamide.
What is the SMILES notation for N-[3-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-3-oxopropyl]methanesulfonamide?
The canonical SMILES for N-[3-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-3-oxopropyl]methanesulfonamide is Cc1ccc(NC2CCN(C(=O)CCNS(C)(=O)=O)CC2)nn1.
What is the InChIKey of N-[3-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-3-oxopropyl]methanesulfonamide?
The InChIKey is CFFNQYYSEOXEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O3S/c1-11-3-4-13(18-17-11)16-12-6-9-19(10-7-12)14(20)5-8-15-23(2,21)22/h3-4,12,15H,5-10H2,1-2H3,(H,16,18).
What are the key properties of N-[3-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-3-oxopropyl]methanesulfonamide?
N-[3-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-3-oxopropyl]methanesulfonamide has a molecular weight of 341.44 g/mol, XLogP of 0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-3-oxopropyl]methanesulfonamide is sourced from PubChem (CID 56802128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).