N-[2-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]ethyl]methanesulfonamide

C11H20ClN5O3S — CID 114433518

IUPACN-[2-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]ethyl]methanesulfonamide
SMILESCN(C)CCn1ncc(NCCNS(C)(=O)=O)c(Cl)c1=O
InChIInChI=1S/C11H20ClN5O3S/c1-16(2)6-7-17-11(18)10(12)9(8-14-17)13-4-5-15-21(3,19)20/h8,13,15H,4-7H2,1-3H3
InChIKeyXXLKALMFTMCGAZ-UHFFFAOYSA-N
MW337.83 g/mol
LogP-0.58
Rot. Bonds8

About N-[2-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]ethyl]methanesulfonamide

N-[2-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]ethyl]methanesulfonamide (PubChem CID 114433518) has the molecular formula C11H20ClN5O3S and a molecular weight of 337.83 g/mol. Its IUPAC name is N-[2-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]ethyl]methanesulfonamide
PubChem CID114433518
Molecular FormulaC11H20ClN5O3S
Molecular Weight337.83 g/mol
Exact Mass337.10
IUPAC NameN-[2-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]ethyl]methanesulfonamide
SMILESCN(C)CCn1ncc(NCCNS(C)(=O)=O)c(Cl)c1=O
InChIInChI=1S/C11H20ClN5O3S/c1-16(2)6-7-17-11(18)10(12)9(8-14-17)13-4-5-15-21(3,19)20/h8,13,15H,4-7H2,1-3H3
InChIKeyXXLKALMFTMCGAZ-UHFFFAOYSA-N
XLogP-0.58
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]ethyl]methanesulfonamide with MolForge

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Related Compounds

2-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-N-methylethanesulfonamide
CID 106337817
4-chloro-5-[4-(dimethylamino)butylamino]-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114436664
4-chloro-2-[2-(dimethylamino)ethyl]-5-(3,3-dimethylbutylamino)pyridazin-3-one
CID 114443265
N-[2-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]ethyl]methanesulfonamide
CID 114433515
5-(but-3-ynylamino)-4-chloro-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114438445
4-chloro-2-[2-(dimethylamino)ethyl]-5-[3-(ethylamino)propylamino]pyridazin-3-one
CID 114444114
3-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-N-methylpropanamide
CID 114436512
4-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]butanamide
CID 114433901
4-chloro-2-[2-(dimethylamino)ethyl]-5-(prop-2-enylamino)pyridazin-3-one
CID 114436885
2-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]ethyl carbamate
CID 114441286
4-chloro-5-(2-cyclobutylethylamino)-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114442315
4-chloro-2-[2-(dimethylamino)ethyl]-5-(1-methylsulfonylpropan-2-ylamino)pyridazin-3-one
CID 114438987

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]ethyl]methanesulfonamide (CID 114433518) is N-[2-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]ethyl]methanesulfonamide is CN(C)CCn1ncc(NCCNS(C)(=O)=O)c(Cl)c1=O.
What is the InChIKey of N-[2-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]ethyl]methanesulfonamide?
The InChIKey is XXLKALMFTMCGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN5O3S/c1-16(2)6-7-17-11(18)10(12)9(8-14-17)13-4-5-15-21(3,19)20/h8,13,15H,4-7H2,1-3H3.
What are the key properties of N-[2-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]ethyl]methanesulfonamide?
N-[2-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]ethyl]methanesulfonamide has a molecular weight of 337.83 g/mol, XLogP of -0.58, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]ethyl]methanesulfonamide is sourced from PubChem (CID 114433518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).